⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6156104 | 0.82 | — | — | |
| SCHEMBL6155285 | 0.75 | — | — | |
| SCHEMBL21724895 | 0.72 | — | — | |
| SCHEMBL24190 | 0.70 | — | — | |
| SCHEMBL75780 | 0.70 | — | — | |
| Benzene SCHEMBL21296191 | 0.70 | KIF11 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL23510328 | 0.67 | — | — | |
| Water SCHEMBL11130078 | 0.67 | — | — | |
| SCHEMBL757603 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL8858350 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982285-B1 | Optically active halobutenediol ethers and dihydroxy ketones and methods for their preparation | CENTRAL GLASS CO LTD (JP) | 2005-11-02 | — | — | EP | disclosed |
| US-6326520-B1 | REACTING HALOGENATED ACETALDEHYDE WITH IN PRESENCE OF BINAPHTHOL-TITANIUM COMPLEX | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-12-04 | — | — | US | disclosed |
| EP-0982285-A1 | Optically active halobutenediol ethers and dihydroxy ketones and methods for their preparation | Central Glass Company, Limited (JP) | 2000-03-01 | — | — | EP | disclosed |
| US-4127728-A | FRIEDEL-CRAFTS CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 1978-11-28 | — | — | US | disclosed |