SCHEMBL3090855

SCHEMBL3090855

O=C=NCC1CCSC(CN=C=O)S1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6898245 0.80
SCHEMBL7635752 0.79
SCHEMBL332128 0.77
SCHEMBL28393180 0.75
SCHEMBL27764560 0.75
SCHEMBL28959397 0.69
SCHEMBL19732814 0.69
SCHEMBL27678032 0.68 ALDH1A1 (0.32)
SCHEMBL331233 0.68
SCHEMBL27960808 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234552-A1 POLYOL COMPOUND, TRANSPARENT MOLDED ARTICLE AND METHOD OF MANUFACTURING TRANSPARENT MOLDED ARTICLE HOYA CORPORATION (JP) 2010-09-16 US disclosed
EP-1637553-B1 TRANSPARENT SHAPED BODY HOYA CORP (JP) 2009-11-25 EP disclosed
US-20060155093-A1 Polyol compound, transparent molded article and method of manufacturing transparent molded article HOYA CORPORATION (JP) 2006-07-13 US disclosed
US-20060149018-A1 Transparent molded article HOYA CORPORATION (JP) 2006-07-06 US disclosed
EP-1640394-A1 POLYOL COMPOUND, TRANSPARENT MOLDED OBJECTS, AND PROCESS FOR PRODUCING TRANSPARENT MOLDED OBJECT HOYA CORPORATION (JP) 2006-03-29 EP disclosed
EP-1637553-A1 TRANSPARENT SHAPED BODY HOYA CORPORATION (JP) 2006-03-22 EP disclosed