⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL10386964 | 0.94 | — | — | |
| Fumaric Acid SCHEMBL10386965 | 0.94 | — | — | |
| SCHEMBL10386557 | 0.90 | — | — | |
| SCHEMBL10386933 | 0.90 | MAPT (0.47) | — | |
| SCHEMBL10388396 | 0.89 | TSHR (0.48) | — | |
| SCHEMBL10646253 | 0.89 | MAPT (0.44) | — | |
| Fumaric Acid SCHEMBL10386852 | 0.84 | PTGS2 (0.41) | — | |
| Fumaric Acid SCHEMBL10386850 | 0.84 | PTGS2 (0.41) | — | |
| SCHEMBL10644525 | 0.84 | MAPT (0.53) | — | |
| SCHEMBL10388661 | 0.83 | MAPT (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4772600-A | MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC | A. H. ROBINS COMPANY, INC. (US) | 1988-09-20 | — | — | US | claimed |
| EP-0255217-A1 | Fused imidazoheterocyclic compounds | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1988-02-03 | — | — | EP | claimed |