SCHEMBL28613768

SCHEMBL28613768

CCCCCCCCCC(C)(C)SC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL7703892 1.00 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL28026088 1.00 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1115021 0.97 TSHR (0.37) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8765527 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL728106 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL25101198 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8372803 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL8477859 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL1114789 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL11804892 0.81 TSHR (0.44) TSHRTHRBGGPS1FDPSSMPD1

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-113024424-A Low-polymerization-degree isobutene high-value resource utilization method 昆明理工大学 2021-06-25 CN disclosed