⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13141618 | 0.89 | — | — | |
| SCHEMBL17993595 | 0.89 | — | — | |
| SCHEMBL13513540 | 0.89 | — | — | |
| SCHEMBL13840828 | 0.77 | ADH1B (0.43) | — | |
| SCHEMBL21012124 | 0.74 | — | — | |
| SCHEMBL16481763 | 0.74 | TRPA1 (0.38) | — | |
| SCHEMBL20334248 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL24326955 | 0.72 | — | — | |
| SCHEMBL22996332 | 0.71 | — | — | |
| SCHEMBL11167567 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010055170-A1 | PYRIMIDINIUM DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF DIABETES | Technische Universität München (DE) | 2010-05-20 | — | — | WO | 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 |