⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9587728 | 1.00 | — | — | |
| SCHEMBL9590173 | 0.81 | — | — | |
| SCHEMBL9590178 | 0.81 | — | — | |
| SCHEMBL9671231 | 0.74 | SRC (0.33) | — | |
| SCHEMBL9680134 | 0.73 | BLM (0.40) | — | |
| SCHEMBL9326168 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL9589131 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL9484025 | 0.67 | UGT2B7 (0.32) | — | |
| SCHEMBL1782344 | 0.61 | — | — | |
| SCHEMBL1782342 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5258400-A | Immunosuppressive compounds for psoriasis | ALLERGAN, INC. (US) | 1993-11-02 | — | — | US | disclosed |
| US-5112853-A | Antiarthritic, calcium channel blockers, immunosuppresive | ALLERGAN, INC. (US) | 1992-05-12 | — | — | US | disclosed |
| EP-0429287-A2 | Anti-inflammatory furanone compounds | ALLERGAN, INC. (US) | 1991-05-29 | — | — | EP | disclosed |