⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13628798 | 0.86 | — | — | |
| SCHEMBL21648215 | 0.82 | — | — | |
| SCHEMBL17499947 | 0.76 | — | — | |
| SCHEMBL21648217 | 0.76 | — | — | |
| SCHEMBL21648208 | 0.76 | — | — | |
| SCHEMBL21648155 | 0.76 | CYP1A2 (0.46) | — | |
| SCHEMBL17546287 | 0.74 | — | — | |
| SCHEMBL21128889 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL20086469 | 0.71 | — | — | |
| SCHEMBL15219223 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4240579-B1 | METHOD FOR MAKING PHOTOCHROMIC CONTACT LENSES | ALCON INC (CH) | 2024-12-04 | — | — | EP | claimed |
| CN-119015319-A | Compound paracetamol and amantadine hydrochloride capsules and preparation method thereof | 重庆申高生化制药股份有限公司 | 2024-11-26 | — | — | CN | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |