SCHEMBL28295872

SCHEMBL28295872

C=C(C)C(=O)OC(C)COP(=O)(O)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.46
TSHR P16473 1/20 0.40
FNTA P49354 7/20 0.39
FNTB P49356 5/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
MVD P53602 3/20 0.35
PGGT1B P53609 2/20 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
SCHEMBL898995 0.94 TSHR (0.42) BTN3A1TSHRFNTAFNTBLPAR1
SCHEMBL1468007 0.90 TSHR (0.44) BTN3A1TSHR
Ammonia Solution, Strong SCHEMBL18140161 0.89 TSHR (0.43) BTN3A1TSHR
SCHEMBL288234 0.87 TSHR (0.44) TSHRLPAR1LPAR3
SCHEMBL28854386 0.86 TSHR (0.41) BTN3A1TSHR
SCHEMBL11314372 0.86 BTN3A1 (0.47) BTN3A1TSHRFNTAFNTBLPAR1
Ammonia Solution, Strong SCHEMBL18140024 0.85 TSHR (0.43) TSHRLPAR1LPAR3
SCHEMBL28788432 0.85 TSHR (0.43) TSHRLPAR1LPAR3
SCHEMBL27898158 0.84 TSHR (0.40) TSHR
SCHEMBL16116998 0.83 TSHR (0.41) TSHRLPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105611994-B Composite semipermeable membrane and its manufacturing method 东丽株式会社 2019-06-21 CN disclosed
CN-105611994-A Composite semipermeable membrane and method for manufacturing same TORAY INDUSTRIES 2016-05-25 CN disclosed