SCHEMBL29285255

SCHEMBL29285255

N[C@H]1CC(=O)OCCC2CCC(CC2)CC2CCC(CCOC1=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9715081 0.81 ALDH1A1 (0.33) CYP1A2
SCHEMBL8562011 0.81 ALDH1A1 (0.33) CYP1A2
SCHEMBL12163165 0.79 CYP1A2 (0.40) CYP1A2
SCHEMBL731550 0.70 TSHR (0.32)
Homoserine Lactone SCHEMBL79968 0.70
Homoserine Lactone SCHEMBL79466 0.70
Homoserine Lactone SCHEMBL79969 0.70
SCHEMBL2423922 0.68 ALDH1A1 (0.46) CYP1A2
Homoserine Lactone SCHEMBL1034274 0.68
Homoserine Lactone SCHEMBL1147212 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271954-A Polyaspartic acid ester elastic waterproof grouting material and preparation method thereof 广东蓝迪高新材料科技有限公司 2024-07-02 CN disclosed