SCHEMBL11398043

SCHEMBL11398043

[Li]C1=C(CCCC)C=CCCC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL253610 0.77
SCHEMBL11390924 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18945023 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL60992 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7203737 0.72 ACHE (0.32) ALDH1A1
SCHEMBL28456647 0.70 ACHE (0.34) ALDH1A1
SCHEMBL5090216 0.70 ACHE (0.34) ALDH1A1
SCHEMBL29210926 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1525180 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL17076973 0.68

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-4258162-A INITIATION WITH ORGANOMONOLITHIUM COMPOUNDS PHILLIPS PETROLEUM COMPANY (US) 1981-03-24 US claimed
US-4284741-A ORGANOLITHIUM ANIONIC POLYMERIZATION CATALYST, CYCLO-OCTATETRAENE OR -HEPTATRIENE PHILLIPS PETROLEUM COMPANY (US) 1981-08-18 US disclosed
US-4258162-A INITIATION WITH ORGANOMONOLITHIUM COMPOUNDS PHILLIPS PETROLEUM COMPANY (US) 1981-03-24 US disclosed