SCHEMBL2850605

SCHEMBL2850605

ClCCCCCCCCCCCBr

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL10980008 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL4941453 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL50103 1.00
SCHEMBL10982778 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL10984171 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL2734640 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL10979826 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL10984759 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL10979286 1.00 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL10980982 1.00 TSHR (0.44) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687581-B2 Heterogeneous organotin catalysts CHEMTURA CORPORATION (US) 2010-03-30 US claimed
EP-1598381-B1 Heterogeneous organotin catalysts CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-10-18 EP claimed
CN-1714935-A Heterogeneous organotin catalysts CROMPTON GMBH (DE) 2006-01-04 CN claimed
US-20050261444-A1 Heterogeneous organotin catalysts GLCC LAUREL, LLC 2005-11-24 US claimed
EP-1598381-A1 Heterogeneous organotin catalysts Crompton GmbH (DE) 2005-11-23 EP claimed
CN-114380673-B Dialkoxy alkenyl alkoxy methyl ether compound and method for preparing terminal conjugated alkadiene aldehyde compound from same 信越化学工业株式会社 2024-09-13 CN disclosed
EP-3978464-B1 HALOALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIEN-1-YL ACETATE COMPOUND AND A TERMINAL CONJUGATED ALKADIEN-1-OL COMPOUND THEREFROM SHINETSU CHEMICAL CO (JP) 2023-11-15 EP disclosed
EP-3978466-B1 DIALKOXYALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIENAL COMPOUND FROM THE SAME SHINETSU CHEMICAL CO (JP) 2023-07-12 EP disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
CN-110386855-B 1-halodiene and process for preparing it and (9E, 111Z) -9, 11-hexadecadienylacetate 信越化学工业株式会社 2023-03-28 CN disclosed
US-11560349-B2 Haloalkenyl alkoxymethyl ether compound and a process for preparing a terminal conjugated alkadien-1-yl acetate compound and a terminal conjugated alkadien-1-ol compound therefrom SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-24 US disclosed
US-20100174106-A1 HETEROGENEOUS ORGANOTIN CATALYSTS CHEMTURA CORPORATION (US) 2010-07-08 US disclosed
US-20100152477-A1 HETEROGENEOUS ORGANOTIN CATALYSTS CHEMTURA CORPORATION (US) 2010-06-17 US disclosed
US-7687581-B2 Heterogeneous organotin catalysts CHEMTURA CORPORATION (US) 2010-03-30 US disclosed
EP-1598381-B1 Heterogeneous organotin catalysts CHEMTURA ORGANOMETALLICS GMBH (DE) 2006-10-18 EP disclosed
CN-1714935-A Heterogeneous organotin catalysts CROMPTON GMBH (DE) 2006-01-04 CN disclosed
US-20050261444-A1 Heterogeneous organotin catalysts GLCC LAUREL, LLC 2005-11-24 US disclosed
EP-1598381-A1 Heterogeneous organotin catalysts Crompton GmbH (DE) 2005-11-23 EP disclosed
US-4544505-A Preparation of halo-α-keto-carboxylic acids ETHYL CORPORATION (US) 1985-10-01 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 (5 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-11560349-B2 Haloalkenyl alkoxymethyl ether compound and a process for preparing a terminal conjugated alkadien-1-yl acetate compound and a terminal conjugated alkadien-1-ol compound therefrom AADAC, NAT1, ACOX1 TSHR 2069/4885ALDH1A1 59/4885TDP1 3590/4885
US-20100174106-A1 HETEROGENEOUS ORGANOTIN CATALYSTS ATXN2L, CDYL, ZYX TSHR 1583/4885ALDH1A1 3536/4885TDP1 3740/4885
US-20100152477-A1 HETEROGENEOUS ORGANOTIN CATALYSTS ATXN2L, CDYL, ZYX TSHR 1583/4885ALDH1A1 3536/4885TDP1 3740/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885TDP1 4302/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885TDP1 4302/4885

“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.