SCHEMBL11548993

SCHEMBL11548993

CC(=NO)C(C)=NO.CC(=NO)C(C)=NO.[Fe]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27563727 1.00
SCHEMBL3865013 1.00
SCHEMBL5690901 1.00
SCHEMBL745256 0.95
SCHEMBL97805 0.95
SCHEMBL97807 0.95
SCHEMBL97806 0.95
SCHEMBL1247678 0.90
SCHEMBL6325986 0.90
SCHEMBL1439780 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161571-A GELATION INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-17 US claimed
US-4161571-A GELATION INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-17 US disclosed
US-4080493-A POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-21 US disclosed