⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1155186 | 0.90 | — | — | |
| SCHEMBL9558489 | 0.87 | — | — | |
| SCHEMBL19721644 | 0.87 | KDM4E (0.56) | — | |
| SCHEMBL1044361 | 0.87 | — | — | |
| SCHEMBL17679730 | 0.86 | KMT2A (0.42) | — | |
| SCHEMBL14922460 | 0.86 | DPP7 (0.36) | — | |
| Hydrochloric Acid SCHEMBL1010389 | 0.84 | KDM4E (0.54) | — | |
| Water SCHEMBL13278005 | 0.84 | KDM4E (0.54) | — | |
| SCHEMBL22874556 | 0.76 | DPP7 (0.42) | — | |
| SCHEMBL18271783 | 0.76 | DPP7 (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116135229-A | Application of hypocrellin-containing derivative with both peri-position and 2-position being simultaneously substituted in preparation of photodynamic anti-tumor drugs | 中国科学院理化技术研究所 | 2023-05-19 | — | — | CN | disclosed |
| EP-3680230-B1 | HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF | TECHNICAL INST OF PHYSICS AND CHEMISTRY OF THE CHINESE ACADEMY OF SCIENCES (CN) | 2022-11-02 | — | — | EP | disclosed |
| US-11439707-B2 | Hypocrellin derivative substituted both in a peri-position and in 2-position by amino, preparation method, and application thereof | Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) | 2022-09-13 | — | — | US | disclosed |
| WO-2012127506-A1 | SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | ADVINUS THERAPEUTICS LIMITED (IN) | 2012-09-27 | — | — | WO | disclosed |