SCHEMBL8368013

SCHEMBL8368013

CCCCC(C)(O)CC(C)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
FDPS P14324 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GGPS1 O95749 1/20 0.30
MAPK1 P28482 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
SCHEMBL28053843 0.93 FDPS (0.38) FDPSSPHK1GGPS1
SCHEMBL28764699 0.91 FDPS (0.39) FDPSSPHK1GGPS1
SCHEMBL8682483 0.91 FDPS (0.39) FDPSSPHK1GGPS1
SCHEMBL2452262 0.86 TSHR (0.36) TSHRCYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL5464467 0.84 FDPS (0.31) CYP3A4FDPSGGPS1
SCHEMBL15531527 0.84
SCHEMBL16074876 0.82 TDP1 (0.33) CYP1A2CYP3A4CYP2C9HIF1AMAPK1
SCHEMBL1657979 0.79 TSHR (0.35) TSHRCYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL11422347 0.79 TSHR (0.35) TSHRFDPSSPHK1GGPS1
SCHEMBL1245105 0.77 FDPS (0.39) FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430732-A Catalyst component for propylene polymerization, preparation method thereof, catalyst and application 中国石油化工股份有限公司 2024-01-23 CN claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
CN-117430732-A Catalyst component for propylene polymerization, preparation method thereof, catalyst and application 中国石油化工股份有限公司 2024-01-23 CN disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-4218548-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1980-08-19 US disclosed
US-4180518-A CROSSLINKING OR VULCANIZING AGENTS PENNWALT CORPORATION (US) 1979-12-25 US disclosed
US-4177204-A AGENTS FOR CROSSLINKING OR VULCANIZING POLYMERS PENNWALT CORPORATION (US) 1979-12-04 US disclosed
US-4129700-A Peroxy compounds and vulcanizable compositions thereof PENNWALT CORPORATION (US) 1978-12-12 US disclosed