SCHEMBL9710095

SCHEMBL9710095

CCC(C)(C(=O)O)C(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10950993 0.82 TSHR (0.31) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL277198 0.80 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL24648570 0.79 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8361505 0.79 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8567184 0.78 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL599201 0.78 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL9780369 0.77 TSHR (0.31) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28709995 0.77 ACE2 (0.39)
SCHEMBL29049066 0.77 LMNA (0.31)
SCHEMBL15389946 0.76 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751982-B2 Polyether polyol resins compositions HEXION INC (US) 2017-09-05 US disclosed
US-9751982-B2 Polyether polyol resins compositions HEXION INC (US) 2017-09-05 US disclosed
US-20140227540-A1 POLYETHER POLYOL RESINS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-08-14 US disclosed
US-20140227540-A1 POLYETHER POLYOL RESINS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-08-14 US disclosed
US-5117022-A Antitumor THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-26 US disclosed
WO-1990002131-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-03-08 WO disclosed