⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11702792 | 0.69 | — | — | |
| SCHEMBL821855 | 0.69 | — | — | |
| Hydrazine SCHEMBL1572402 | 0.67 | KDM1A (0.30) | — | |
| SCHEMBL11275867 | 0.66 | — | — | |
| SCHEMBL2159026 | 0.62 | KDM4E (0.34) | — | |
| SCHEMBL486034 | 0.62 | ESR1 (0.36) | — | |
| SCHEMBL9707369 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL15466836 | 0.58 | — | — | |
| SCHEMBL31285765 | 0.57 | KDM1A (0.40) | — | |
| SCHEMBL2878672 | 0.55 | MAOA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |