⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5045830 | 0.75 | — | — | |
| SCHEMBL2566116 | 0.71 | — | — | |
| SCHEMBL16468814 | 0.71 | — | — | |
| SCHEMBL38322 | 0.71 | — | — | |
| SCHEMBL724105 | 0.69 | — | — | |
| SCHEMBL3711784 | 0.69 | — | — | |
| SCHEMBL8621790 | 0.69 | — | — | |
| SCHEMBL7872866 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL20995323 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9309545 | 0.67 | — | — |
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-4278822-A | FROM 1-ALKENE WITH TRISUBSTITUTED CARBON, HALOGENATED TRANSFER AGENT | EXXON RESEARCH & ENGINEERING CO. (US) | 1981-07-14 | — | — | US | claimed |
| WO-2010116121-A1 | PROCESSES FOR MAKING ISOXAZOLINE DERIVATIVES | SYNGENTA LIMITED (GB) | 2010-10-14 | — | — | WO | disclosed |