⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2303911 | 1.00 | — | — | |
| SCHEMBL441908 | 0.75 | SHBG (0.32) | — | |
| SCHEMBL6956347 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL2303897 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL2240665 | 0.72 | — | — | |
| SCHEMBL2301260 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL2301258 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL6033218 | 0.68 | CYP1A2 (0.30) | — | |
| SCHEMBL11402450 | 0.68 | ADH1B (0.32) | — | |
| SCHEMBL962970 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0891331-B1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2003-10-01 | — | — | EP | disclosed |