⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15355173 | 0.87 | — | — | |
| SCHEMBL1194255 | 0.87 | — | — | |
| SCHEMBL8576893 | 0.87 | — | — | |
| SCHEMBL16279190 | 0.84 | — | — | |
| SCHEMBL5909040 | 0.79 | — | — | |
| SCHEMBL5909038 | 0.79 | — | — | |
| SCHEMBL15283285 | 0.71 | — | — | |
| SCHEMBL19973806 | 0.71 | — | — | |
| SCHEMBL19973804 | 0.71 | — | — | |
| SCHEMBL19973874 | 0.71 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |
| EP-1373253-B1 | INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT | CYCLACEL LTD (GB) | 2007-06-20 | — | — | EP | disclosed |
| 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 |