⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3936878 | 1.00 | — | — | |
| SCHEMBL16985411 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28105006 | 0.98 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28104876 | 0.98 | SLC6A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL16975421 | 0.98 | SLC6A2 (0.36) | — | |
| SCHEMBL27719635 | 0.82 | SLC6A2 (0.35) | — | |
| SCHEMBL22265191 | 0.79 | SLC6A2 (0.34) | — | |
| SCHEMBL250056 | 0.77 | — | — | |
| SCHEMBL23929455 | 0.76 | — | — | |
| SCHEMBL516648 | 0.76 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |
| US-20230348376-A1 | VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN | TEIJIN PHARMA LIMITED (JP) | 2023-11-02 | — | — | US | disclosed |
| WO-2023171736-A1 | MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE | 帝人ファーマ株式会社 | 2023-09-14 | — | — | WO | disclosed |
| EP-4215519-A1 | VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN | Teijin Pharma Limited (JP) | 2023-07-26 | — | — | EP | disclosed |
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |
| US-10618901-B2 | LRRK2 inhibitors for the treatment of Parkinson's disease | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-04-14 | — | — | US | disclosed |
| EP-3099695-B1 | COMPOUNDS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-04-08 | — | — | EP | disclosed |
| US-20170015668-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-01-19 | — | — | US | disclosed |
| US-20170015668-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-01-19 | — | — | US | disclosed |
| WO-2015113452-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2015-08-06 | — | — | WO | disclosed |