SCHEMBL24926178

SCHEMBL24926178

CCCCCCCCCCCCCCCCCC(C#N)(C#N)NC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
FDPS P14324 9/20 0.32
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
SCHEMBL4895779 0.78 EPHX1 (0.36) EPHX1TSHRTHRBGGPS1FDPS
SCHEMBL3457114 0.72 TSHR (0.37) EPHX1TSHR
SCHEMBL9453333 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL23700088 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL23700067 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16672477 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL23700072 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL695768 0.72 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9280150 0.71 TSHR (0.41) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20967951 0.70 TSHR (0.40) 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
WO-2023007051-A1 2D ANISOTROPIC BISMUTH MATERIALS AND METHOD FOR OBTAINING SAME USING COLLOIDAL SYNTHESIS UNIVERSITAT DE VALÈNCIA (ES) 2023-02-02 WO disclosed