⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11228868 | 1.00 | — | — | |
| SCHEMBL11048668 | 0.77 | — | — | |
| SCHEMBL18034449 | 0.76 | — | — | |
| SCHEMBL60486 | 0.75 | — | — | |
| SCHEMBL60485 | 0.75 | — | — | |
| SCHEMBL13153897 | 0.75 | MCL1 (0.32) | — | |
| SCHEMBL18546498 | 0.73 | — | — | |
| SCHEMBL25885867 | 0.73 | — | — | |
| SCHEMBL7592404 | 0.73 | — | — | |
| SCHEMBL7592406 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112679363-B | Method for preparing pentazocine intermediate | 和鼎（南京）医药技术有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-112679363-B | Method for preparing pentazocine intermediate | 和鼎（南京）医药技术有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2023123024-A1 | ELECTROCHEMICAL APPARATUS AND ELECTRONIC APPARATUS | 宁德新能源科技有限公司 | 2023-07-06 | — | — | WO | disclosed |
| CN-112679363-A | Method for preparing pentazocine intermediate | 和鼎（南京）医药技术有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-112679363-A | Method for preparing pentazocine intermediate | 和鼎（南京）医药技术有限公司 | 2021-04-20 | — | — | CN | disclosed |
| EP-2487149-A1 | METHOD FOR PRODUCING KETONE | JX Nippon Oil & Energy Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |
| US-20120197036-A1 | METHOD FOR MANUFACTURING KETONE | OSAKA UNIVERSITY (JP) | 2012-08-02 | — | — | US | disclosed |
| CN-102548942-A | Method for producing ketone | JX NIPPON OIL & ENERGY CORP | 2012-07-04 | — | — | CN | disclosed |
| US-4331562-A | IN THE PRESENCE OF A PALLADIUM OR RUTHENIUM CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1982-05-25 | — | — | US | disclosed |
| US-4261927-A | PLLADIUM OR RUTHENIUM CATALYST, METAL NITRATE PROMOTER | PHILLIPS PETROLEUM COMPANY (US) | 1981-04-14 | — | — | US | disclosed |