SCHEMBL9845748

SCHEMBL9845748

O=C=NC1C=C(Br)CCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL374561 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16760275 0.68 ALDH1A1 (0.44) ALDH1A1
SCHEMBL234140 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7357215 0.63
SCHEMBL28224018 0.63
SCHEMBL11018120 0.63
SCHEMBL11329162 0.61 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6562010 0.61
SCHEMBL11154179 0.61 CYP3A4 (0.39)
SCHEMBL10553148 0.60 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417690-A2 Aromatization process OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 EP disclosed
US-4968830-A HALOGENATIVE DEHYDROGENATION OCCIDENTAL CHEMICAL CORPORATION (US) 1990-11-06 US disclosed