SCHEMBL9735787

SCHEMBL9735787

[CH2]CCCCCC1OCCCO1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 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
SCHEMBL9734070 0.98
SCHEMBL10458962 0.91 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL4353536 0.91
SCHEMBL27936185 0.91 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL9111281 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29246341 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4719421 0.80
SCHEMBL4358415 0.80
SCHEMBL27805510 0.80
SCHEMBL8926810 0.79 PRKD3 (0.36) ALDH1A1EPHX1

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
US-5130356-A Addition of small amounts of diphenoquinone or diphenohydroquinone derivatives; compact disc substrates BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed