⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4613065 | 0.79 | — | — | |
| SCHEMBL11180531 | 0.78 | — | — | |
| SCHEMBL4272602 | 0.71 | — | — | |
| SCHEMBL2749936 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL1004841 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL11501561 | 0.68 | CYP3A4 (0.30) | — | |
| SCHEMBL14991846 | 0.67 | — | — | |
| SCHEMBL10940168 | 0.65 | — | — | |
| SCHEMBL9843033 | 0.65 | — | — | |
| SCHEMBL11751623 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4275071-A | Imidazole derivatives | RECORDATI S.A. (CH) | 1981-06-23 | — | — | US | disclosed |
| US-3994724-A | SUBSTITUTED ANILINE PHOTOCONDUCTOR | SCOTT PAPER COMPANY (US) | 1976-11-30 | — | — | US | disclosed |