SCHEMBL414549

SCHEMBL414549

C=C(C)C(N)=O.C=C(C)C(N)=O.C=C(C)C(N)=O.CC(C)(C)CO

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL4332087 0.87 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22
SCHEMBL4342621 0.84 TDP1 (0.63) TDP1LMNAALOX15BLMPMP22
Tromethamine SCHEMBL2097922 0.82 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22
Ethylene Glycol SCHEMBL860665 0.80 TDP1 (0.75) TDP1LMNAALOX15BLMPMP22
Ethylene Glycol SCHEMBL1275662 0.80 TDP1 (0.75) TDP1LMNAALOX15BLMPMP22
Tert-Butylamine SCHEMBL7649267 0.80 TDP1 (0.75) TDP1LMNAALOX15BLMPMP22
Alcohol SCHEMBL821322 0.80
Chloromethane SCHEMBL3624400 0.80
SCHEMBL2128293 0.80 TDP1 (1.00) TDP1LMNAALOX15BLMPMP22
SCHEMBL5708652 0.80 TDP1 (1.00) TDP1LMNAALOX15BLMPMP22

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
EP-2399953-B1 POLYCHLOROPRENE ELASTOMER COMPOSITION, PROCESS FOR PRODUCING SAME, AND VULCANIZATE AND MOLDED OBJECT DENKA COMPANY LTD (JP) 2017-03-15 EP disclosed
US-20120022196-A1 POLYCHLOROPRENE ELASTOMER COMPOSITION, AND PRODUCTION METHOD- AND THE VULCANIZATE AND MOLDED ARTICLES THEREOF DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-01-26 US disclosed
EP-2399953-A1 POLYCHLOROPRENE ELASTOMER COMPOSITION, PROCESS FOR PRODUCING SAME, AND VULCANIZATE AND MOLDED OBJECT Denki Kagaku Kogyo Kabushiki Kaisha (JP) 2011-12-28 EP disclosed