⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078834 | 0.84 | — | — | |
| SCHEMBL6233046 | 0.73 | CYP19A1 (0.36) | — | |
| SCHEMBL22344712 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL6677481 | 0.69 | TYR (0.43) | — | |
| SCHEMBL4446563 | 0.69 | ALPL (0.30) | — | |
| SCHEMBL1534219 | 0.68 | HPGD (0.39) | — | |
| SCHEMBL28305414 | 0.68 | PTPN22 (0.44) | — | |
| SCHEMBL379708 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL45025 | 0.67 | IDO1 (0.43) | — | |
| SCHEMBL29501476 | 0.67 | IDO1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131958-A2 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | claimed |