Isothiocyanate

Isothiocyanate

SCHEMBL6579931

CCOC(C)CC.N=C=S

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.35
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL157863 0.84
SCHEMBL8272284 0.84
SCHEMBL6375588 0.84
Alcohol SCHEMBL4444448 0.76 LMNA (0.45) LMNATHRB
SCHEMBL25786758 0.74 LMNA (0.43) LMNATHRB
Ethylene Glycol SCHEMBL27888561 0.74 LMNA (0.43) LMNATHRB
SCHEMBL6380672 0.73 LMNA (0.38) LMNATHRB
Acetaldehyde SCHEMBL27382312 0.72 LMNA (0.41) LMNATHRB
Isothiocyanate SCHEMBL945092 0.72
Propionaldehyde SCHEMBL27383590 0.70 ALDH1A1 (0.45) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120435-B1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LTD (JP) 2004-05-06 EP disclosed
US-6562936-B1 Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration TEIJIN LIMITED (JP) 2003-05-13 US disclosed
US-6509435-B1 Heat resistance, stability; moldings TEIJIN LIMITED (JP) 2003-01-21 US disclosed
EP-1191049-A1 POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-03-27 EP disclosed
EP-1120435-A1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LIMITED (JP) 2001-08-01 EP disclosed