⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18773622 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL15674923 | 0.74 | NOS3 (0.38) | — | |
| SCHEMBL12643479 | 0.74 | — | — | |
| SCHEMBL20848386 | 0.74 | LPL (0.34) | — | |
| SCHEMBL13272251 | 0.73 | — | — | |
| SCHEMBL17874862 | 0.70 | MPO (0.35) | — | |
| SCHEMBL7929543 | 0.69 | — | — | |
| SCHEMBL12956812 | 0.68 | HRH3 (0.31) | — | |
| SCHEMBL19882165 | 0.68 | — | — | |
| SCHEMBL20019550 | 0.68 | HRH3 (0.39) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070032653-A1 | N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) | 2007-02-08 | — | — | US | disclosed |