⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2191199 | 0.81 | ALOX15 (0.32) | — | |
| SCHEMBL22699493 | 0.80 | — | — | |
| SCHEMBL7082088 | 0.68 | FFAR3 (0.32) | — | |
| Acetic Acid SCHEMBL6157366 | 0.65 | FFAR3 (0.47) | — | |
| SCHEMBL29049114 | 0.63 | CA12 (0.37) | — | |
| SCHEMBL28212056 | 0.63 | — | — | |
| Oxalic Acid SCHEMBL9516907 | 0.63 | ALOX15 (0.39) | — | |
| Acetic Acid SCHEMBL21802739 | 0.63 | FFAR3 (0.44) | — | |
| SCHEMBL569712 | 0.63 | — | — | |
| SCHEMBL3972450 | 0.61 | KDM6B (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566234-A | Quinocetone preparation method | NANYANG TANWA PHARMACY CO LTD | 2016-05-11 | — | — | CN | claimed |
| CN-105566234-A | Quinocetone preparation method | NANYANG TANWA PHARMACY CO LTD | 2016-05-11 | — | — | CN | disclosed |