SCHEMBL21549958

SCHEMBL21549958

CCCCCCCCCCCC(C)(C)CCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
THRB P10828 1/20 0.53
GGPS1 O95749 6/20 0.44
FDPS P14324 9/20 0.42
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMPD1 P17405 2/20 0.41
CES2 O00748 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL1282990 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL8895547 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL20856500 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL20856453 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL20856568 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL4964981 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL8159115 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL20856434 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL20856432 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL28431571 1.00 TSHR (0.53) TSHRTHRBGGPS1FDPSFFAR1

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
EP-3863428-A1 WATER SOLUBLE FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC Natural Products Co., Ltd. (CN) 2021-08-18 EP disclosed
WO-2019214567-A1 SWEETENER AND FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC NATURAL PRODUCTS CO., LTD. (CN) 2019-11-14 WO disclosed