SCHEMBL11065631

SCHEMBL11065631

CCCCCCCCCC(C)(C)OP(OC(C)(C)CCCCCCCCC)OC(C)(C)CCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
GGPS1 O95749 6/20 0.35
SMPD1 P17405 5/20 0.35
FDPS P14324 9/20 0.34
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL11636360 1.00 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL9156559 1.00 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL8926607 0.82 GGPS1 (0.38) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL11636364 0.82 GGPS1 (0.38) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL9156566 0.82 GGPS1 (0.38) GGPS1SMPD1FDPSCES2LPAR1
SCHEMBL1921064 0.79 ALDH1A1 (0.30) TSHR
SCHEMBL5026816 0.78 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL1160626 0.78 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL6658765 0.77 TSHR (0.44) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL11699499 0.77 TSHR (0.44) TSHRTHRBGGPS1SMPD1FDPS

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-4446061-A FIREPROOFING, SMOKELESS, PHOSPHITE/PHOSPHONATE MONSANTO COMPANY (US) 1984-05-01 US disclosed
US-4313761-A FIREPROOFING AND SMOKE SUPPRESSANTS MONSANTO COMPANY (US) 1982-02-02 US disclosed
US-4260542-A FLAME RETARDANTS, SMOKE SUPPRESSANTS MONSANTO COMPANY (US) 1981-04-07 US disclosed
US-4206133-A FLAME RETARDANTS AND SMOKE SUPPRESSANTS MONSANTO COMPANY (US) 1980-06-03 US disclosed
US-4133823-A FIREPROOFING, SMOKELESS MONSANTO COMPANY (US) 1979-01-09 US disclosed