Isothiocyanate

Isothiocyanate

SCHEMBL6697265

C.C.C.C.C.C.C.N=C=S.N=C=S

nearest known ligand 0.38

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
Isothiocyanate SCHEMBL28958859 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL4877804 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL331366 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL20183932 1.00
Isothiocyanate SCHEMBL671213 1.00
Isothiocyanate SCHEMBL3252242 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL330914 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL2149601 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL331891 1.00 ALDH1A1 (0.38) ALDH1A1LMNA
Isothiocyanate SCHEMBL6577572 1.00

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-20040068059-A1 Aliphatic polyester copolymer and process for producing the same, biodegradable resin molding based on aliphatic polyester, and lactone-containing resin DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2004-04-08 US disclosed
EP-1354908-A1 ALIPHATIC POLYESTER COPOLYMER AND PROCESS FOR PRODUCING THE SAME, BIODEGRADABLE RESIN MOLDING BASED ON ALIPHATIC POLYESTER, AND LACTONE-CONTAINING RESIN DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2003-10-22 EP disclosed