SCHEMBL11664749

SCHEMBL11664749

CC(C)C[Al](CC(C)C)CC(C)C.CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 5/20 0.33
TRPM8 Q7Z2W7 5/20 0.32
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27507309 1.00 TSHR (0.38) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL818787 1.00 TSHR (0.38) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL3673386 0.93 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL180874 0.93 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL78510 0.93 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL3671630 0.93 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL80551 0.93 TSHR (0.40) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL7932503 0.90 TSHR (0.35) TSHRTHRBDNM1TRPM8OPRM1
SCHEMBL3835334 0.90 TSHR (0.32) TSHRLMNA
Octane SCHEMBL29076104 0.90 TSHR (0.47) TSHRTHRBDNM1TRPM8OPRM1

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-4073820-A TUNGSTEN COMPOUND-ALKYLALUMINUM HALIDE-AMINE CATALYST THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-14 US disclosed