⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3242490 | 0.83 | — | — | |
| SCHEMBL3701429 | 0.78 | — | — | |
| SCHEMBL9813036 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL44376 | 0.73 | — | — | |
| SCHEMBL3242487 | 0.71 | — | — | |
| SCHEMBL5694134 | 0.70 | — | — | |
| SCHEMBL412520 | 0.70 | — | — | |
| SCHEMBL3955985 | 0.68 | — | — | |
| SCHEMBL3955459 | 0.68 | — | — | |
| SCHEMBL25313126 | 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-118119594-A | Camptothecin derivative intermediate, preparation method and application thereof | 上海弼领生物技术有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-109705124-B | Radioactive fluorine labeled Larotrectinib compound and preparation method thereof | 上海健康医学院 | 2021-09-24 | — | — | CN | disclosed |
| WO-2017106836-A1 | TRITERPENE SAPONIN VARIANTS, METHODS OF SYNTHESIS AND USE THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2017-06-22 | — | — | WO | disclosed |
| EP-0630366-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. Searle & Co. (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0614360-A1 | SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. | SEARLE & CO (US) | 1994-09-14 | — | — | EP | disclosed |
| WO-1993008164-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-04-29 | — | — | WO | disclosed |