⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5320280 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5337157 | 0.95 | IDO1 (0.37) | — | |
| SCHEMBL21518865 | 0.65 | — | — | |
| SCHEMBL28102244 | 0.62 | — | — | |
| SCHEMBL7847706 | 0.60 | — | — | |
| SCHEMBL31357464 | 0.59 | IDO1 (0.52) | — | |
| SCHEMBL24404193 | 0.59 | IDO1 (0.52) | — | |
| SCHEMBL15762826 | 0.59 | IDO1 (0.52) | — | |
| SCHEMBL113314 | 0.57 | GSK3B (0.40) | — | |
| SCHEMBL2321239 | 0.57 | IDO1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105916857-A | Pyrrolopyrrolone derivatives and their use as BET inhibitors | 诺华股份有限公司 | 2016-08-31 | — | — | CN | disclosed |