SCHEMBL9771802

SCHEMBL9771802

CC(C)B(C(C)C)C(C)C.CCCCB(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL1237 0.82 ANPEP (0.53) ANPEPTSHRLMNATHRB
SCHEMBL10899969 0.82 ANPEP (0.53) ANPEPTSHRLMNATHRB
SCHEMBL51210 0.78 ANPEP (0.50) ANPEPTSHRLMNATHRB
SCHEMBL952691 0.78 ANPEP (0.50) ANPEPTSHRLMNATHRB
Ammonia Solution, Strong SCHEMBL28825800 0.78 ANPEP (0.50) ANPEPTSHRLMNATHRB
SCHEMBL3887127 0.78 ANPEP (0.50) ANPEPTSHRLMNATHRB
SCHEMBL9814415 0.78 ANPEP (0.50) ANPEPTSHRLMNATHRB
Lithium Ion SCHEMBL22426275 0.76 ANPEP (0.47) ANPEPTSHRLMNAOPRM1THRB
Potassium Ion SCHEMBL22426233 0.76 ANPEP (0.47) ANPEPTSHRLMNAOPRM1THRB
SCHEMBL2133232 0.72 ANPEP (0.39) ANPEPTSHRLMNAOPRM1THRB

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
US-4985516-A MONOACRYLATE, POLYACRYLATE, ACID ACRYLATE MONOMER, TRIALKYLBORON OR ITS OXIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
EP-0266220-A2 Curable composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-04 EP disclosed