Isopropyl Isothiocyanate

Isopropyl Isothiocyanate

SCHEMBL20183963

C=C1OC1=O.CC(C)N=C=S

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TRPV1 Q8NER1 2/20 0.56
MIF P14174 2/20 0.36

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
SCHEMBL1853500 0.80
Isopropyl Isothiocyanate SCHEMBL213474 0.75
Isopropyl Isothiocyanate SCHEMBL28808742 0.70
SCHEMBL20183952 0.70
SCHEMBL2759885 0.66
Isopropyl Isothiocyanate SCHEMBL28808741 0.66
Ammonia Solution, Strong SCHEMBL2484130 0.63
SCHEMBL2134253 0.58
Trimethylammonium SCHEMBL28066421 0.57
SCHEMBL28220625 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572202-B1 MOLDED ARTICLE AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL CO (JP) 2021-08-11 EP disclosed
US-10941254-B2 Molded article and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-09 US disclosed
CN-110167734-B Molded article and method for producing same 住友化学株式会社 2021-01-08 CN disclosed
US-10647784-B2 Resin and surface protective plate or automotive material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-12 US disclosed
EP-3327052-B1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL CO (JP) 2020-03-04 EP disclosed
US-20190322815-A1 MOLDED ARTICLE AND METHOD OF PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-10-24 US disclosed
US-20180215837-A1 RESIN AND SURFACE PROTECTIVE PLATE OR AUTOMOTIVE MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-02 US disclosed
EP-3327052-A1 RESIN AND SURFACE PROTECTION PLATE OR AUTOMOTIVE MATERIAL Sumitomo Chemical Company, Ltd. (JP) 2018-05-30 EP disclosed