⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12294516 | 0.93 | — | — | |
| SCHEMBL29084640 | 0.82 | — | — | |
| SCHEMBL14956718 | 0.79 | — | — | |
| SCHEMBL7962196 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28479310 | 0.77 | — | — | |
| SCHEMBL1809385 | 0.77 | — | — | |
| SCHEMBL5971743 | 0.76 | — | — | |
| SCHEMBL31680337 | 0.76 | — | — | |
| SCHEMBL5698597 | 0.76 | SIRT2 (0.36) | — | |
| SCHEMBL27616232 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6680183-B2 | FUNGICIDAL MIXTURE; FOR KILLING PLANT PARASITES | ZENECA LIMITED (GB) | 2004-01-20 | — | — | US | claimed |
| EP-0862646-B1 | PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED TETRAHYDROPYRAN-4-ONES | AVECIA LTD (GB) | 2002-04-03 | — | — | EP | claimed |
| US-5962282-A | PRODUCING CIS 2-SUBSTITUTED TETRAHYDROPYRAN-4-OL BY STEREOSPECIFICALLY HYDROLYSING AN ESTER DERIVATIVE USING HYDROLASE IN A RACEMIC MIXTURE; FOR FORMING OPTICALLY ACTIVE KETONE DERIVATIVES | AVECIA LIMITED (GB) | 1999-10-05 | — | — | US | claimed |