⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17327932 | 0.77 | — | — | |
| SCHEMBL18993241 | 0.73 | NOS1 (0.37) | — | |
| SCHEMBL2416678 | 0.69 | — | — | |
| SCHEMBL2416599 | 0.68 | TDO2 (0.37) | — | |
| SCHEMBL15158549 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL567717 | 0.66 | CYP17A1 (0.45) | — | |
| SCHEMBL16475156 | 0.66 | RECQL (0.54) | — | |
| SCHEMBL29191973 | 0.66 | AXL (0.36) | — | |
| SCHEMBL2419197 | 0.65 | NFATC1 (0.36) | — | |
| SCHEMBL30702049 | 0.61 | NFATC1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991989-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS | PFIZER (US) | 2017-06-28 | — | — | EP | disclosed |
| US-9296761-B2 | Triazine derivatives | PFIZER INC. (US) | 2016-03-29 | — | — | US | disclosed |
| US-20150353579-A1 | Triazine Derivatives | PFIZER (US) | 2015-12-10 | — | — | US | disclosed |
| US-9145427-B2 | Triazine derivatives | PFIZER INC. (US) | 2015-09-29 | — | — | US | disclosed |
| US-20150080401-A1 | Triazine Derivatives | PFIZER (US) | 2015-03-19 | — | — | US | disclosed |
| US-8933224-B2 | Triazine derivatives | PFIZER INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140329820-A1 | Triazine Derivatives | PFIZER INC. (US) | 2014-11-06 | — | — | US | disclosed |
| WO-2014177977-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS | PFIZER INC. (US) | 2014-11-06 | — | — | WO | disclosed |