SCHEMBL29068632

SCHEMBL29068632

CCCCCCC(CC)(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
SMPD1 P17405 4/20 0.33
FDPS P14324 9/20 0.32
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL8161274 1.00 TSHR (0.35) TSHRTDP1THRBGGPS1SMPD1
SCHEMBL30218651 0.98 TSHR (0.36) TSHRTDP1THRBGGPS1SMPD1
SCHEMBL27338355 0.81 TSHR (0.42) TSHRTDP1
SCHEMBL11855772 0.81
Decane SCHEMBL12471508 0.81 TSHR (0.53) TSHRTDP1THRB
Octane SCHEMBL27564992 0.81 TSHR (0.53) TSHRTDP1THRB
SCHEMBL14785224 0.80 CES2 (0.33) TSHRTDP1GGPS1SMPD1FDPS
SCHEMBL15618147 0.79 TSHR (0.32) TSHRTDP1
Hexane SCHEMBL3348665 0.78 TSHR (0.57) TSHRTDP1THRB
SCHEMBL23152664 0.77 TSHR (0.38) TSHRTDP1THRBGGPS1SMPD1

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
CN-116744813-A Fiber for artificial hair 电化株式会社 2023-09-12 CN disclosed