SCHEMBL4157246

SCHEMBL4157246

O=C(O)/C=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.44
THRB P10828 2/20 0.35
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL4156127 1.00 HCAR2 (0.44) HCAR2THRBTSHRTP53EGLN1
SCHEMBL4614791 0.93 HCAR2 (0.47) HCAR2THRBTSHRTP53EGLN1
SCHEMBL4614795 0.93 HCAR2 (0.47) HCAR2THRBTSHRTP53EGLN1
SCHEMBL6752099 0.93 THRB (0.35) HCAR2THRBTP53ALDH1A1
SCHEMBL11647883 0.93 THRB (0.35) HCAR2THRBTP53ALDH1A1
SCHEMBL10456315 0.87 HCAR2 (0.46) HCAR2
SCHEMBL4164061 0.85 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4614790 0.85 HCAR2 (0.34) HCAR2TP53ALDH1A1
SCHEMBL6753132 0.85 HCAR2 (0.34) HCAR2TP53ALDH1A1
SCHEMBL29360899 0.83 HCAR2 (0.47) HCAR2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247680-A1 ADHESION PROMOTING ADDITIVE AVERY DENNISON CORPORATION (US) 2009-10-01 US disclosed
EP-0140530-B1 LATENTLY-CURABLE ORGANOSILICONE RELEASE COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-08 EP disclosed
US-4533575-A ETHYLENICALLY UNSATURATED POLYSILOXANE AND POLYHYDROSILOXANE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-08-06 US disclosed
EP-0140530-A1 Latently-curable organosilicone release coating composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-08 EP disclosed
US-4504645-A GELATION INHIBITION USING A MONOESTER OR -AMIDE OF AN UNSATURATED DICARBOXYLIC ACID; SHELF LIFE; HEAT CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-12 US disclosed