⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5753900 | 0.81 | ADRA2B (0.30) | — | |
| SCHEMBL31080676 | 0.80 | TAAR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL7784340 | 0.79 | TAAR1 (0.43) | — | |
| SCHEMBL3776672 | 0.72 | EPHX1 (0.32) | — | |
| SCHEMBL6637319 | 0.72 | BCHE (0.35) | — | |
| SCHEMBL4812855 | 0.70 | ACE (0.37) | — | |
| SCHEMBL128086 | 0.69 | TAAR1 (0.35) | — | |
| SCHEMBL25309449 | 0.68 | TRPA1 (0.35) | — | |
| SCHEMBL1071752 | 0.68 | TRPA1 (0.35) | — | |
| SCHEMBL9330630 | 0.68 | TAAR1 (0.34) | — |
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-7442698-B2 | Substituted heterocyclic compounds and methods of use | AMGEN INC. (US) | 2008-10-28 | — | — | US | claimed |
| EP-1654238-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2006-05-10 | — | — | EP | claimed |
| WO-2005009978-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2005-02-03 | — | — | WO | claimed |
| US-20050026914-A1 | Substituted heterocyclic compounds and methods of use | AMGEN INC. | 2005-02-03 | — | — | US | claimed |
| US-7442698-B2 | Substituted heterocyclic compounds and methods of use | AMGEN INC. (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1654238-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005009978-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2005-02-03 | — | — | WO | disclosed |
| US-20050026914-A1 | Substituted heterocyclic compounds and methods of use | AMGEN INC. | 2005-02-03 | — | — | US | disclosed |