⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL201560 | 0.71 | AKR1C3 (0.33) | — | |
| SCHEMBL13214825 | 0.71 | — | — | |
| SCHEMBL1568359 | 0.71 | — | — | |
| SCHEMBL12810313 | 0.71 | — | — | |
| SCHEMBL181970 | 0.71 | — | — | |
| SCHEMBL6912662 | 0.71 | — | — | |
| SCHEMBL5912747 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL4042945 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL4042946 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL5912200 | 0.70 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4759762-B2 | — | — | 2011-08-31 | — | — | JP | claimed |
| EP-0891331-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1999-01-20 | — | — | EP | claimed |
| WO-1997036869-A1 | N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-10-09 | — | — | WO | claimed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |