SCHEMBL633774

SCHEMBL633774

O=C(CBr)OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
NAAA Q02083 2/20 0.52
HTT P42858 2/20 0.50
CYP19A1 P11511 2/20 0.47
EPHX1 P07099 2/20 0.47
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
MIF P14174 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4954811 1.00 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL2431445 0.98 NAAA (0.50) CYP2C19NAAAHTTCYP19A1EPHX1
Bromoacetic Acid SCHEMBL21811414 0.94 CYP2C19 (0.49) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL21765678 0.88 ALDH1A1 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL21883836 0.88 ALDH1A1 (0.44) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949248 0.86 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL952084 0.86 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL949655 0.86 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL951198 0.86 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL952586 0.86 CYP2C19 (0.46) CYP2C19NAAAHTTCYP19A1EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072499-B1 Method for manufacturing thiodiglycolic dialkyl esters SALTIGO GMBH (DE) 2012-02-22 EP claimed
US-7642371-B2 Process for preparing dialkyl thiodiglycolates SALTIGO GMBH (DE) 2010-01-05 US claimed
US-20090163736-A1 PROCESS FOR PREPARING DIALKYL THIODIGLYCOLATES SALTIGO GMBH (DE) 2009-06-25 US claimed
CN-101462992-A Method for manufacturing thiodiglycolic dialkyl esters SALTIGO GMBH (DE) 2009-06-24 CN claimed
US-11958802-B2 Migration-resistant photopolymerization sensitizer KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-04-16 US disclosed
CN-113166036-B Photopolymerizing sensitizers with migration resistance 川崎化成工业株式会社 2023-10-10 CN disclosed
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-07 US disclosed
CN-113166036-A Photopolymerisable sensitizers having migration resistance 川崎化成工业株式会社 2021-07-23 CN disclosed
WO-2020213442-A1 PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR 川崎化成工業株式会社 2020-10-22 WO disclosed
WO-2020213442-A1 PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR 川崎化成工業株式会社 2020-10-22 WO disclosed
WO-2020209209-A1 RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
WO-2020208833-A1 PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING PHOTO-RADICALLY POLYMERIZABLE COMPOSITION, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING COATING FILM, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed
US-4965397-A Novel dibasic acid salts and their synthesis ETHYL CORPORATION (US) 1990-10-23 US disclosed
US-4547505-A ANTIULCER, ANTIPHLOGISTIC, AND ANTISECRETORY AGENT DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed
US-4530925-A Aminocyclopentane esters and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1985-07-23 US disclosed
EP-0127930-A2 Aminocyclopentane esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1984-12-12 EP disclosed
US-4123443-A Process for the preparation of bromoacetic acid and esters thereof KATAYAMA CHEMICAL WORKS CO., LTD. (JP) 1978-10-31 US disclosed
US-3995641-A Surgical adhesives ETHICON, INC. (US) 1976-12-07 US disclosed
US-3970678-A Organotin mercaptide process CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11958802-B2 Migration-resistant photopolymerization sensitizer F12, F10, PCNA CYP2C19 71/4885NAAA 1666/4885HTT 1272/4885
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER F12, F10, PCNA CYP2C19 71/4885NAAA 1666/4885HTT 1272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.