Cyclopropane

Cyclopropane

SCHEMBL10359668

C1CC1.C=C(C)C(=O)N[N+](C)(C)C

nearest known ligand 0.35

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
TGFBR1 P36897 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2152590 0.93 ALDH1A1 (0.39) ALDH1A1KDM4ERXFP1TGFBR1PHF8
Hydrochloric Acid SCHEMBL3334704 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1TGFBR1PHF8
Bromide SCHEMBL27706629 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1TGFBR1PHF8
Acrylamide SCHEMBL28190409 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1
Ammonia Solution, Strong SCHEMBL27706627 0.76 ALDH1A1 (0.35) ALDH1A1KDM4ETGFBR1
Cyclopropane SCHEMBL21806702 0.70 TDP1 (0.41) ALDH1A1KDM4ERXFP1TGFBR1TDP1
SCHEMBL25316068 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1TGFBR1TDP1
SCHEMBL3776845 0.70 TGFBR1 (0.35) ALDH1A1KDM4ETGFBR1TDP1
Hydrochloric Acid SCHEMBL3866989 0.68 TGFBR1 (0.34) ALDH1A1KDM4ETGFBR1
Cyclopropane SCHEMBL11144471 0.67 TSHR (0.44) ALDH1A1PHF8KDM2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274189-B1 RIBOFLAVIN/FLUORESCENT LIGHT-INITIATED POLYMERIZATION OF WATER-SOLUBLE MONOMERS CALGON CORPORATION (US) 1990-12-27 EP claimed