⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17675473 | 0.67 | — | — | |
| SCHEMBL1200032 | 0.63 | HRH3 (0.41) | — | |
| SCHEMBL5666576 | 0.55 | — | — | |
| SCHEMBL3153767 | 0.54 | MAPT (0.40) | — | |
| SCHEMBL24503895 | 0.53 | — | — | |
| SCHEMBL1274881 | 0.53 | — | — | |
| SCHEMBL2769919 | 0.53 | — | — | |
| SCHEMBL17795999 | 0.53 | — | — | |
| SCHEMBL11866265 | 0.53 | — | — | |
| SCHEMBL1169883 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873317-B1 | PYRIMIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | EP | disclosed |
| US-5688798-A | PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |