SCHEMBL7645580

SCHEMBL7645580

CCCCCC(CCCC)(CCCC)C(P)(P)CCCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FDPS P14324 11/20 0.33
GGPS1 O95749 7/20 0.33
SMPD1 P17405 2/20 0.31
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
SCHEMBL909561 0.95 TSHR (0.33) TSHRTHRBFDPS
SCHEMBL30403031 0.77 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
Bromide SCHEMBL28888844 0.75 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL27932108 0.75 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL414589 0.75 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL29210027 0.74 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL4457163 0.74 TSHR (0.57) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL5473271 0.72 TSHR (0.47) TSHRTHRBFDPSGGPS1SMPD1
Iodide SCHEMBL5089252 0.72 TSHR (0.39) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL11487921 0.72 FDPS (0.44) TSHRTHRBFDPSGGPS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476272-B1 Organophosphines RHODIA CONSUMER SPECIALTIES LIMITED (GB) 2002-11-05 US disclosed
EP-1123302-A1 ORGANOPHOSPHINES Rhodia Consumer Specialties Limited (GB) 2001-08-16 EP disclosed
WO-2000024752-A1 ORGANOPHOSPHINES ALBRIGHT & WILSON UK LIMITED (GB) 2000-05-04 WO disclosed