⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99231 | 0.96 | — | — | |
| SCHEMBL28195973 | 0.96 | ALDH1A1 (0.47) | — | |
| SCHEMBL7702355 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL7776241 | 0.92 | — | — | |
| Methane SCHEMBL28016384 | 0.92 | — | — | |
| SCHEMBL30731544 | 0.92 | — | — | |
| SCHEMBL5224515 | 0.92 | — | — | |
| Potassium Ion SCHEMBL7702367 | 0.92 | — | — | |
| SCHEMBL7702357 | 0.92 | — | — | |
| Lithium Ion SCHEMBL5224511 | 0.92 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6355826-B1 | HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-03-12 | — | — | US | claimed |
| EP-0903338-A2 | Synthesis of stable nitrile oxide compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1999-03-24 | — | — | EP | claimed |
| JP-11180943-A | — | — | None | — | — | JP | disclosed |
| US-6355826-B1 | HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-03-12 | — | — | US | disclosed |
| US-6355826-B1 | HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-03-12 | — | — | US | disclosed |
| EP-0903338-A3 | Synthesis of stable nitrile oxide compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-05-24 | — | — | EP | disclosed |
| JP-H11180943-A | SYNTHESIS OF STABLE NITRILE OXIDE COMPOUND | GOODYEAR TIRE & RUBBER CO:THE | 1999-07-06 | — | — | JP | disclosed |
| EP-0903338-A2 | Synthesis of stable nitrile oxide compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0903338-A2 | Synthesis of stable nitrile oxide compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0085031-B1 | METHOD FOR THE PREPARATION OF SYMMETRICAL MONOACETALS OF AROMATIC 1,2-DIKETONES STARTING FROM THE CORRESPONDING ALPHAHYDROXYKETONES | FRATELLI LAMBERTI S.p.A. (IT) | 1986-06-25 | — | — | EP | disclosed |
| EP-0085031-A2 | Method for the preparation of symmetrical monoacetals of aromatic 1,2-diketones starting from the corresponding alphahydroxyketones | FRATELLI LAMBERTI S.p.A. (IT) | 1983-08-03 | — | — | EP | disclosed |