⚠ 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 SCHEMBL10386847 | 0.99 | — | — | |
| SCHEMBL10387461 | 0.93 | — | — | |
| SCHEMBL10387167 | 0.90 | — | — | |
| Water SCHEMBL10387646 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL10386680 | 0.88 | — | — | |
| SCHEMBL10386684 | 0.87 | LMNA (0.58) | — | |
| SCHEMBL10387642 | 0.86 | — | — | |
| SCHEMBL10387064 | 0.85 | — | — | |
| SCHEMBL9692101 | 0.84 | — | — | |
| SCHEMBL10386916 | 0.83 | — | — |
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 |