⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1903772 | 0.99 | — | — | |
| SCHEMBL3541992 | 0.87 | CETP (0.33) | — | |
| Hydrochloric Acid SCHEMBL1905143 | 0.86 | CETP (0.32) | — | |
| SCHEMBL4830883 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL1897915 | 0.85 | — | — | |
| SCHEMBL1895745 | 0.85 | TACR1 (0.33) | — | |
| SCHEMBL4830670 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1899720 | 0.84 | TACR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1898069 | 0.84 | — | — | |
| SCHEMBL4832718 | 0.83 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332514-B2 | Dibenzylamine compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2008-02-19 | — | — | US | claimed |
| EP-1533292-B1 | DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2007-02-14 | — | — | EP | claimed |
| US-7807701-B2 | Dibenzylamine compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2010-10-05 | — | — | US | disclosed |
| US-7807701-B2 | Dibenzylamine compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2010-10-05 | — | — | US | disclosed |
| US-20080146620-A1 | Dibenzylamine Compounds and Pharmaceutical Use Thereof | JAPAN TOBACCO INC. (JP) | 2008-06-19 | — | — | US | disclosed |
| US-20080146620-A1 | Dibenzylamine Compounds and Pharmaceutical Use Thereof | JAPAN TOBACCO INC. (JP) | 2008-06-19 | — | — | US | disclosed |
| US-7332514-B2 | Dibenzylamine compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2008-02-19 | — | — | US | disclosed |
| US-7332514-B2 | Dibenzylamine compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2008-02-19 | — | — | US | disclosed |