⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5605630 | 0.74 | CYP3A4 (0.32) | — | |
| SCHEMBL27840294 | 0.68 | — | — | |
| SCHEMBL27695674 | 0.65 | ACE2 (0.34) | — | |
| SCHEMBL27867564 | 0.64 | — | — | |
| SCHEMBL28174214 | 0.63 | — | — | |
| SCHEMBL28274561 | 0.63 | CYP3A4 (0.34) | — | |
| SCHEMBL27670702 | 0.62 | — | — | |
| SCHEMBL27528730 | 0.61 | — | — | |
| SCHEMBL27788560 | 0.61 | TDP1 (0.32) | — | |
| SCHEMBL28137762 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109456153-B | Synthesis method of oxoisophorone | 上虞新和成生物化工有限公司 | 2020-04-28 | — | — | CN | claimed |
| CN-109456153-A | A kind of synthetic method of ketoisophorone | 上虞新和成生物化工有限公司 | 2019-03-12 | — | — | CN | claimed |
| CN-109456153-B | Synthesis method of oxoisophorone | 上虞新和成生物化工有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-109456153-B | Synthesis method of oxoisophorone | 上虞新和成生物化工有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-109456153-A | A kind of synthetic method of ketoisophorone | 上虞新和成生物化工有限公司 | 2019-03-12 | — | — | CN | disclosed |
| CN-109456153-A | A kind of synthetic method of ketoisophorone | 上虞新和成生物化工有限公司 | 2019-03-12 | — | — | CN | disclosed |