⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28935992 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL829692 | 0.74 | PRMT3 (0.44) | — | |
| SCHEMBL8781867 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL11838143 | 0.72 | — | — | |
| SCHEMBL11323157 | 0.71 | DNM1 (0.44) | — | |
| SCHEMBL897597 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL11320198 | 0.71 | DNM1 (0.44) | — | |
| SCHEMBL4321071 | 0.71 | DNM1 (0.44) | — | |
| SCHEMBL6669138 | 0.70 | DNM1 (0.43) | — | |
| Trimethylammonium SCHEMBL11817885 | 0.67 | ALDH1A1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362240-B2 | Taxol derivatives with antitumor activity | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2013-01-29 | — | — | US | disclosed |
| US-20100168420-A1 | Taxol Derivatives With Antitumor Activity | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2010-07-01 | — | — | US | disclosed |
| CN-100516067-C | Taxad phenol derivate with anti-tumor activity | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2009-07-22 | — | — | CN | disclosed |
| EP-1980562-A1 | TAXOL DERIVATIVES WITH ANTITUMOR ACTIVITY | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2008-10-15 | — | — | EP | disclosed |
| CN-100999524-A | Taxad phenol derivate with anti-tumor activity | HENGRUI PHARMACEUTICAL CO LTD (CN) | 2007-07-18 | — | — | CN | disclosed |