SCHEMBL9418103

SCHEMBL9418103

CC1CC(C)CC(N=C=O)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 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
SCHEMBL7043819 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL28794996 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL49811 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4
SCHEMBL48591 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4
SCHEMBL8168474 0.78 ALDH1A1 (0.35) ALDH1A1CYP3A4
Hydrogen Sulfide SCHEMBL5133931 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4
SCHEMBL896571 0.77 ALDH1A1 (0.54) ALDH1A1
SCHEMBL7677482 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4
Methane SCHEMBL10579566 0.75 ALDH1A1 (0.52) ALDH1A1
SCHEMBL1992984 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4

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
CN-117500782-A Process for preparing at least one polyisocyanate 巴斯夫欧洲公司 2024-02-02 CN disclosed
EP-0421214-B1 Process for the preparation of segmented polyurethane-urea-elastomer solutions, as well as the fibres and films obtained in this way BAYER AG (DE) 1994-02-02 EP disclosed
EP-0421214-A2 Process for the preparation of segmented polyurethane-urea-elastomer solutions, as well as the fibres and films obtained in this way BAYER AG (DE) 1991-04-10 EP disclosed