⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27699520 | 0.85 | — | — | |
| SCHEMBL4787638 | 0.83 | — | — | |
| SCHEMBL29905540 | 0.81 | — | — | |
| SCHEMBL4062953 | 0.76 | OPRD1 (0.34) | — | |
| SCHEMBL11552775 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL232544 | 0.75 | — | — | |
| SCHEMBL4733476 | 0.73 | HRH3 (0.36) | — | |
| SCHEMBL4542405 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL3587410 | 0.70 | — | — | |
| SCHEMBL2911964 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070208036-A1 | Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-09-06 | — | — | US | claimed |
| US-7230001-B1 | Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-06-12 | — | — | US | claimed |
| US-20070208036-A1 | Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-09-06 | — | — | US | disclosed |
| US-7230001-B1 | Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-06-12 | — | — | US | disclosed |