SCHEMBL9304444

SCHEMBL9304444

CCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.67
S1PR2 O95136 1/20 0.60
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60
S1PR5 Q9H228 1/20 0.60
CHRM2 P08172 1/20 0.55
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.53
GGPS1 O95749 4/20 0.50
KDM5A P29375 3/20 0.48
KDM4C Q9H3R0 2/20 0.48
PHF8 Q9UPP1 1/20 0.48
FDPS P14324 1/20 0.48
AGTR1 P30556 1/20 0.48
OPRM1 P35372 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1276650 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL6444090 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9493560 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL20746523 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL23502354 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL408903 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL25463105 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL10677607 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL24103978 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL20746425 1.00 DNM1 (0.67) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814017-B The oxidation of 2 mercapto ethanol 巴斯夫欧洲公司 2019-02-12 CN claimed
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 EP claimed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 US claimed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 EP claimed
CN-105814017-A OXIDATION OF 2-MERCAPTOETHANOL 巴斯夫欧洲公司 2016-07-27 CN claimed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 WO claimed
EP-0328205-B1 CONDITIONING AGENT CONTAINING AMINE ION-PAIR COMPLEXES AND COMPOSITIONS THEREOF THE PROCTER & GAMBLE COMPANY (US) 1993-05-12 EP claimed
EP-0267657-B1 ARTICLES AND METHODS FOR TREATING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1993-04-07 EP claimed
EP-0268324-B1 ION-PAIR COMPLEX CONDITIONING AGENT AND COMPOSITIONS CONTAINING SAME THE PROCTER & GAMBLE COMPANY (US) 1993-01-20 EP claimed
WO-2024044481-A1 POLYOLEFIN ELASTOMER VITRIMER PREPARED WITH MULTI-FUNCTIONAL BORON-ESTER CROSSLINKERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2024-02-29 WO disclosed
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 EP disclosed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 US disclosed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 EP disclosed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 WO disclosed
US-5113017-A Process for treating tertiary amines ETHYL CORPORATION (US) 1992-05-12 US disclosed
US-5107028-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-21 US disclosed
US-5103053-A Process for treating tert-amines ETHYL CORPORATION (US) 1992-04-07 US disclosed
US-5103052-A Tertiary amine treatment ETHYL CORPORATION (US) 1992-04-07 US disclosed
CN-87105965-A Ion pair complex modulators and compositions thereof 1988-07-06 CN disclosed
US-4602108-A NITRILOTRIS/METHANEPHOSPHONIC ACID/AND SALTS ETHYL CORPORATION (US) 1986-07-22 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 (1 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-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL HAO2, GPX4, SQOR DNM1 2773/4885S1PR2 1936/4885S1PR1 2700/4885

“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.