⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21879605 | 0.98 | KDM1A (0.33) | — | |
| SCHEMBL1051645 | 0.83 | PTPN1 (0.38) | — | |
| SCHEMBL1052195 | 0.83 | PTPN1 (0.38) | — | |
| SCHEMBL28905 | 0.83 | KDM1A (0.31) | — | |
| SCHEMBL1051643 | 0.83 | PTPN1 (0.38) | — | |
| SCHEMBL10698482 | 0.83 | PTPN1 (0.38) | — | |
| SCHEMBL3674602 | 0.83 | KDM1A (0.35) | — | |
| SCHEMBL3674606 | 0.83 | KDM1A (0.35) | — | |
| SCHEMBL953641 | 0.81 | — | — | |
| SCHEMBL306894 | 0.80 | — | — |
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-110627672-A | Preparation method of dimemorfan phosphate and intermediate thereof | 广东东阳光药业有限公司 | 2019-12-31 | — | — | CN | claimed |
| CN-109553641-B | Novel pincer-like metal complex and application thereof | 中国科学院上海有机化学研究所 | 2023-05-12 | — | — | CN | disclosed |
| CN-109071414-B | Improved process for the preparation of butorphanol tartrate | 海蔻有限公司 | 2021-11-05 | — | — | CN | disclosed |
| CN-110627672-A | Preparation method of dimemorfan phosphate and intermediate thereof | 广东东阳光药业有限公司 | 2019-12-31 | — | — | CN | disclosed |
| US-7709479-B1 | Quinazoline derivatives and their use as pharmaceuticals | ASTRAZENECA (SE) | 2010-05-04 | — | — | US | disclosed |
| EP-0986384-A4 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 2004-09-15 | — | — | EP | disclosed |
| EP-1218354-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | AstraZeneca AB (SE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021596-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRAZENECA AB (SE) | 2001-03-29 | — | — | WO | disclosed |
| EP-0986384-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050029-A1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIVERSITY OF PITTSBURGH (US) | 1998-11-12 | — | — | WO | disclosed |