⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7451441 | 0.78 | — | — | |
| SCHEMBL17294098 | 0.75 | — | — | |
| SCHEMBL19125915 | 0.75 | — | — | |
| SCHEMBL9508624 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8954999 | 0.70 | — | — | |
| SCHEMBL10670977 | 0.69 | MKNK1 (0.30) | — | |
| SCHEMBL8209599 | 0.68 | — | — | |
| SCHEMBL9418590 | 0.68 | — | — | |
| SCHEMBL11775856 | 0.68 | TLR4 (0.31) | — | |
| SCHEMBL28003677 | 0.67 | — | — |
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-104902890-B | Extract of plants of the genus Alpinia for the treatment of irritable bowel syndrome | 财团法人医药工业技术发展中心 | 2017-06-13 | — | — | CN | claimed |
| EP-4244280-A1 | PREPARATION OF POLYOLEFIN-POLYACRYLATE BLOCK COPOLYMERS ADDITIVES FOR INCREASING SURFACE ENERGY OF POLYETHYLENE | Dow Global Technologies LLC (US) | 2023-09-20 | — | — | EP | disclosed |
| WO-2022103800-A1 | PREPARATION OF POLYOLEFIN-POLYACRYLATE BLOCK COPOLYMERS ADDITIVES FOR INCREASING SURFACE ENERGY OF POLYETHYLENE | DOW GLOBAL TECHNOLOGIES LLC (US) | 2022-05-19 | — | — | WO | disclosed |
| CN-104902890-B | Extract of plants of the genus Alpinia for the treatment of irritable bowel syndrome | 财团法人医药工业技术发展中心 | 2017-06-13 | — | — | CN | disclosed |
| US-6187808-B1 | 6-DIPROPYLAMINO-3,4,5,6,7,8-HEXAHYDRO-2H-NAPHTHALEN-1-ONE OXIME, FOR EXAMPLE; TREATING PARKINSON'S DISEASE | WARNER-LAMBERT COMPANY | 2001-02-13 | — | — | US | disclosed |
| WO-2000006536-A1 | HEXAHYDRO-NAPHTHALENONE OXIMES AND HYDRAZONES | WARNER-LAMBERT COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |