⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27979581 | 0.76 | KDM1A (0.31) | — | |
| SCHEMBL7762588 | 0.74 | — | — | |
| SCHEMBL8903600 | 0.73 | PDK2 (0.34) | — | |
| SCHEMBL3814243 | 0.72 | DPP4 (0.39) | — | |
| SCHEMBL8894836 | 0.71 | — | — | |
| SCHEMBL28786022 | 0.71 | KDM1A (0.36) | — | |
| SCHEMBL26436 | 0.70 | DPP4 (0.33) | — | |
| SCHEMBL8896950 | 0.70 | CYP2A6 (0.36) | — | |
| SCHEMBL29448063 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL20901360 | 0.70 | MEN1 (0.39) | — |
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-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | disclosed |