⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577845 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL2390259 | 0.81 | ALDH1A1 (0.31) | — | |
| Benzene SCHEMBL27857134 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL5526876 | 0.79 | — | — | |
| SCHEMBL11364223 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL6496501 | 0.79 | MAOB (0.33) | — | |
| SCHEMBL9008595 | 0.79 | — | — | |
| SCHEMBL31549866 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL746905 | 0.78 | — | — | |
| SCHEMBL6607749 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096217-B | Heterocyclic compound and organic light-emitting device including the same | 三星显示有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-114007696-A | Compounds for treating oncovirus-induced cancer and methods of use thereof | 塞莱斯蒂亚生物技术股份公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-101955491-A | Induced layer material for weak epitaxial growth thin film of non-planar metal phthalocyanin | SHANGHAI ZHONGKE LIANHE DISPLAY TECHNOLOGY CO LTD | 2011-01-26 | — | — | CN | disclosed |
| EP-0958280-A1 | ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME | SUNTORY LIMITED (JP) | 1999-11-24 | — | — | EP | disclosed |
| WO-1999023072-A1 | ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME | SUNTORY LIMITED (JP) | 1999-05-14 | — | — | WO | disclosed |
| EP-0596058-A1 | BIPHENYLYLQUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS | ZENECA LIMITED (GB) | 1994-05-11 | — | — | EP | disclosed |
| EP-0569564-A1 | BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS | ZENECA LIMITED (GB) | 1993-11-18 | — | — | EP | disclosed |
| WO-1993009115-A1 | BIPHENYLYLQUINUCLIDINES, USEFUL AS SQUALENE SYNTHETASE INHIBITORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-05-13 | — | — | WO | disclosed |