⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28099658 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5337157 | 0.98 | IDO1 (0.37) | — | |
| SCHEMBL21518865 | 0.67 | — | — | |
| SCHEMBL7847706 | 0.62 | — | — | |
| SCHEMBL31357464 | 0.60 | IDO1 (0.52) | — | |
| SCHEMBL5752165 | 0.60 | — | — | |
| SCHEMBL24404193 | 0.60 | IDO1 (0.52) | — | |
| SCHEMBL15762826 | 0.60 | IDO1 (0.52) | — | |
| SCHEMBL28102244 | 0.59 | — | — | |
| SCHEMBL113314 | 0.59 | GSK3B (0.40) | — |
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-2855483-A1 | PYRROLOPYRROLIDINONE COMPOUNDS | Novartis AG (CH) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013175417-A1 | PYRROLOPYRROLIDINONE COMPOUNDS | NOVARTIS AG (CH) | 2013-11-28 | — | — | WO | disclosed |
| WO-2007096334-A1 | PYRROLOPYRROLONES ACTIVE AS KINASE INHIBITORS | PFIZER ITALIA SRL (IT) | 2007-08-30 | — | — | WO | disclosed |