⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL10387452 | 0.99 | — | — | |
| SCHEMBL9692155 | 0.88 | KDM4E (0.48) | — | |
| SCHEMBL9693458 | 0.84 | GRIN1 (0.47) | — | |
| SCHEMBL9694101 | 0.84 | — | — | |
| Water SCHEMBL9692173 | 0.83 | — | — | |
| SCHEMBL9694069 | 0.82 | — | — | |
| Methane SCHEMBL10386612 | 0.81 | — | — | |
| SCHEMBL10387488 | 0.80 | GMNN (0.44) | — | |
| SCHEMBL9693718 | 0.79 | HSD17B10 (0.47) | — | |
| SCHEMBL10386709 | 0.77 | POLB (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255217-B1 | FUSED IMIDAZOHETEROCYCLIC COMPOUNDS | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1992-01-22 | — | — | EP | claimed |
| 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 |