⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL817605 | 1.00 | — | — | |
| SCHEMBL9556685 | 0.78 | — | — | |
| SCHEMBL9556688 | 0.78 | — | — | |
| SCHEMBL6079331 | 0.70 | — | — | |
| SCHEMBL7516397 | 0.67 | — | — | |
| SCHEMBL15326890 | 0.65 | — | — | |
| SCHEMBL9186990 | 0.65 | — | — | |
| SCHEMBL8731095 | 0.65 | — | — | |
| SCHEMBL15939298 | 0.61 | — | — | |
| SCHEMBL14720606 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0614871-B1 | Process for producing optically active beta-hydroxyketone | TAKASAGO PERFUMERY CO LTD (JP) | 1998-06-10 | — | — | EP | disclosed |
| US-5434289-A | Process for producing optically active β-hydroxyketone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1995-07-18 | — | — | US | disclosed |
| EP-0614871-A1 | Process for producing optically active beta-hydroxyketone | Takasago International Corporation (JP) | 1994-09-14 | — | — | EP | disclosed |