⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9639039 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL9638558 | 0.80 | DPP4 (0.33) | — | |
| SCHEMBL9639801 | 0.79 | KMT2A (0.37) | — | |
| SCHEMBL9639841 | 0.79 | CAPN1 (0.34) | — | |
| SCHEMBL9639879 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL9638683 | 0.77 | GAA (0.36) | — | |
| SCHEMBL6535681 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL9638607 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL21369 | 0.73 | EPHX1 (0.48) | — | |
| SCHEMBL13770863 | 0.73 | MAPT (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001451-A | — | — | None | — | — | JP | disclosed |
| EP-0326107-B1 | ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES | Bristol-Myers Squibb Company (US) | 1992-09-02 | — | — | EP | disclosed |
| JP-H021451-A | ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES | BRISTOL MYERS CO | 1990-01-05 | — | — | JP | disclosed |
| US-4888357-A | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0326107-A1 | Antiarthritic beta-cycloalkyl-beta-oxopropionitriles | Bristol-Myers Squibb Company (US) | 1989-08-02 | — | — | EP | disclosed |