SCHEMBL7876849

SCHEMBL7876849

C=C(CCC)CCC.CCCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.41
SQLE Q14534 4/20 0.39
ALOX15 P16050 4/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
UGT1A1 P22309 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL1191493 0.91 TSHR (0.52) TSHRKMT2ASQLEALOX15MEN1
SCHEMBL20171227 0.83 KMT2A (0.61) KMT2ASQLEALOX15MEN1CYP3A4
SCHEMBL72617 0.82
Ammonia Solution, Strong SCHEMBL27348405 0.79
Methane SCHEMBL28217973 0.79
SCHEMBL27916109 0.79
Water SCHEMBL27510558 0.79
SCHEMBL1982384 0.78 TSHR (0.38) TSHRKMT2ASQLEALOX15MEN1
SCHEMBL1982504 0.77 TSHR (0.48) TSHRKMT2ASQLEALOX15MEN1
Hydrazine SCHEMBL27496951 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329454-B1 STIFFNESS AND TOUGHNESS AND SCRATCH RESISTANCE IN INJECTION MOLDED ARTICLES AUTOMOTIVE BUMPER BEAM, AUTOMOTIVE BUMPER FASCIA, AN AUTOMOTIVE PILLAR, AUTOMOTIVE INSTRUMENT PANEL, AN ELECTRICAL EQUIPMENT HOUSING, FREEZER CONTAINER, CRATE THE DOW CHEMICAL COMPANY 2001-12-11 US disclosed