⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3138187 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL3142403 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL3144028 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL3146489 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL57874 | 1.00 | — | — | |
| SCHEMBL1378195 | 1.00 | — | — | |
| SCHEMBL5041884 | 0.96 | TSHR (0.37) | — | |
| SCHEMBL285689 | 0.95 | — | — | |
| SCHEMBL28397186 | 0.86 | — | — | |
| SCHEMBL127435 | 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 163 patents — showing the first 20. 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 | claimed |
| 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 | claimed |
| US-20210145968-A1 | 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) | 2021-05-20 | — | — | US | claimed |
| CN-109456210-B | Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2020-09-25 | — | — | CN | claimed |
| EP-3680230-A1 | DERIVATIVES OF HYPOCRELLIN WITH PERI-POSITION AND 2-POSITION SIMULTANEOUSLY SUBSTITUTED BY AMINO GROUPS | Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) | 2020-07-15 | — | — | EP | claimed |
| CN-109456210-A | Hypocrellin peri-and 2-amino-substituted derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2019-03-12 | — | — | CN | claimed |
| EP-2074122-B9 | PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS | PFIZER PROD INC (US) | 2013-09-11 | — | — | EP | claimed |
| JP-4750713-B2 | — | — | 2011-08-17 | — | — | JP | claimed |
| JP-4718637-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| JP-4717006-B2 | — | — | 2011-07-06 | — | — | JP | claimed |
| EP-1587905-A3 | VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-12-14 | — | — | EP | claimed |
| JP-2005532348-A | — | — | 2005-10-27 | — | — | JP | claimed |
| EP-1587905-A2 | VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-26 | — | — | EP | claimed |
| WO-2005051898-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | claimed |
| WO-2005051936-A1 | PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | claimed |
| WO-2005051893-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | claimed |
| WO-2005051940-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-06-09 | — | — | WO | claimed |
| EP-1511740-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-03-09 | — | — | EP | claimed |
| WO-2004063348-A2 | VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | claimed |
| WO-2003101978-A1 | PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2003-12-11 | — | — | WO | claimed |