⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3632352 | 1.00 | — | — | |
| SCHEMBL4599728 | 1.00 | — | — | |
| SCHEMBL11679892 | 0.86 | ALDH1A1 (0.36) | — | |
| SCHEMBL27720540 | 0.86 | BLM (0.33) | — | |
| SCHEMBL16738189 | 0.84 | ACE2 (0.34) | — | |
| SCHEMBL26770999 | 0.82 | ACE2 (0.37) | — | |
| SCHEMBL3392036 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL25078569 | 0.80 | — | — | |
| SCHEMBL17664580 | 0.80 | — | — | |
| SCHEMBL21963099 | 0.80 | ALOX15 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534132-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2012-12-19 | — | — | EP | disclosed |
| EP-1558248-A1 | DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041273-A1 | DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-05-21 | — | — | WO | disclosed |