⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8897584 | 0.88 | — | — | |
| SCHEMBL5070145 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL7282298 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL7282307 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL28480587 | 0.73 | CES2 (0.41) | — | |
| SCHEMBL2557241 | 0.70 | CES2 (0.37) | — | |
| SCHEMBL1858190 | 0.70 | CES2 (0.37) | — | |
| SCHEMBL2550741 | 0.69 | LMNA (0.46) | — | |
| SCHEMBL7273201 | 0.69 | ERN1 (0.34) | — | |
| SCHEMBL30440635 | 0.69 | CFD (0.38) | — |
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 |