⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7572048 | 1.00 | — | — | |
| SCHEMBL4569661 | 0.73 | — | — | |
| SCHEMBL21647303 | 0.73 | — | — | |
| SCHEMBL29572329 | 0.73 | — | — | |
| SCHEMBL8524596 | 0.73 | — | — | |
| SCHEMBL8524597 | 0.73 | — | — | |
| SCHEMBL9241247 | 0.71 | — | — | |
| SCHEMBL616243 | 0.71 | — | — | |
| SCHEMBL973749 | 0.71 | — | — | |
| SCHEMBL5616883 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002047222-A | METHOD FOR PRODUCING FLUORINE-CONTAINING ALCOHOL COMPOUND | DAIKIN IND LTD | 2002-02-12 | — | — | JP | disclosed |
| CN-1077028-C | Multi-layer, halogen-free, autoclavable barrier film | BAXTER INT (US) | 2002-01-02 | — | — | CN | disclosed |
| CN-1159167-A | Multi-layer, halogen-free, autoclavable barrier film | BAXTER INT (US) | 1997-09-10 | — | — | CN | disclosed |
| US-5262388-A | Isooxazoline ethers | SHELL RESEARCH LIMITED (GB) | 1993-11-16 | — | — | US | disclosed |
| EP-0514987-A1 | Herbicidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-11-25 | — | — | EP | disclosed |
| EP-0251262-A2 | Process for the preparation of perfluoroalkenols | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-07 | — | — | EP | disclosed |