SCHEMBL9027642

SCHEMBL9027642

C=CCS[n+]1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.41
BCHE P06276 13/20 0.41

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
SCHEMBL9023676 0.76 HTT (0.43) ACHEBCHE
Naphthalene SCHEMBL28229499 0.69 SMN1; SMN2 (0.58)
SCHEMBL131315 0.68 ACHE (0.69) ACHEBCHE
SCHEMBL9025548 0.68 ACHE (0.41) ACHEBCHE
Bromide SCHEMBL299633 0.67 BCHE (0.72) ACHEBCHE
Iodide SCHEMBL3434198 0.67 ACHE (0.67) ACHEBCHE
Hydrochloric Acid SCHEMBL1099708 0.67 ACHE (0.72) ACHEBCHE
SCHEMBL29657227 0.63 ACHE (0.61) ACHEBCHE
Naphthalene SCHEMBL23527405 0.61 ALOX12 (0.50) ACHEBCHE
Naphthalene SCHEMBL965746 0.61 CYP2A6 (0.50) ACHEBCHE

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
EP-0390099-B1 Polar cephalosporin derivatives and process for their preparation HOECHST AG (DE) 1996-06-26 EP claimed
JP-2289585-A None JP disclosed
JP-H02289585-A POLAR CEPHALOSPORIN DERIVATIVE AND ITS PREPARATION HOECHST AG 1990-11-29 JP disclosed