⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL633602 | 0.81 | CYP19A1 (0.32) | — | |
| SCHEMBL632534 | 0.81 | CYP19A1 (0.32) | — | |
| SCHEMBL632903 | 0.81 | CYP19A1 (0.32) | — | |
| SCHEMBL632864 | 0.80 | CRBN (0.37) | — | |
| SCHEMBL633775 | 0.80 | CRBN (0.37) | — | |
| SCHEMBL632923 | 0.80 | CRBN (0.37) | — | |
| SCHEMBL632557 | 0.76 | CHRM2 (0.32) | — | |
| SCHEMBL633932 | 0.76 | CHRM2 (0.32) | — | |
| SCHEMBL633431 | 0.76 | CHRM2 (0.32) | — | |
| SCHEMBL633824 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2093228-B1 | PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF | TIANJIN HEMAY BIO TECH CO LTD (CN) | 2012-02-22 | — | — | EP | disclosed |