⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8962647 | 1.00 | — | — | |
| SCHEMBL8963235 | 0.89 | AVPR1A (0.31) | — | |
| SCHEMBL8963238 | 0.89 | AVPR1A (0.31) | — | |
| SCHEMBL8963209 | 0.84 | CSF1R (0.35) | — | |
| SCHEMBL8963204 | 0.84 | CSF1R (0.35) | — | |
| SCHEMBL8962773 | 0.83 | PDE10A (0.32) | — | |
| SCHEMBL8962769 | 0.83 | PDE10A (0.32) | — | |
| SCHEMBL8962855 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL8962861 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL8963185 | 0.82 | NPC1 (0.32) | — |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |