⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11060527 | 0.83 | PTGS2 (0.34) | — | |
| SCHEMBL11061784 | 0.82 | PADI1 (0.39) | — | |
| SCHEMBL11057986 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL11065510 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL11065067 | 0.76 | LOXL2 (0.38) | — | |
| SCHEMBL11057482 | 0.75 | HTT (0.38) | — | |
| SCHEMBL11057699 | 0.75 | LDHA (0.35) | — | |
| SCHEMBL11060495 | 0.75 | DAO (0.36) | — | |
| SCHEMBL11088045 | 0.74 | HPGD (0.43) | — | |
| SCHEMBL11064950 | 0.74 | SMN1; SMN2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4458081-A | ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1984-07-03 | — | — | US | disclosed |
| US-4454326-A | 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates | SYNTEX (U.S.A.) INC. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4347187-A | Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein | SYNTEX (U.S.A.) INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347186-A | Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein | SYNTEX (U.S.A.) INC. (US) | 1982-08-31 | — | — | US | disclosed |