⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28057052 | 0.84 | CA2 (0.39) | — | |
| SCHEMBL8462298 | 0.80 | — | — | |
| SCHEMBL6843198 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL16081350 | 0.79 | CA1 (0.30) | — | |
| SCHEMBL17793660 | 0.79 | — | — | |
| SCHEMBL11911971 | 0.77 | — | — | |
| SCHEMBL12220181 | 0.77 | — | — | |
| SCHEMBL15966007 | 0.77 | — | — | |
| SCHEMBL8964563 | 0.76 | — | — | |
| SCHEMBL7259789 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113603568-A | Preparation method of cannabidiol | 厦门朝阳生物工程有限公司 | 2021-11-05 | — | — | CN | claimed |
| US-20230295131-A1 | INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE | ANGION BIOMEDICA CORP. | 2023-09-21 | — | — | US | disclosed |
| CN-109790146-B | Pharmaceutical compounds | 阿尔麦克探索有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-111201225-B | Coumarin-like ring compound as MEK inhibitor and application thereof | 基石药业 | 2021-11-05 | — | — | CN | disclosed |
| CN-111233684-A | Preparation of solid forms of gadobenate dimeglumine | 伯拉考成像股份公司 | 2020-06-05 | — | — | CN | disclosed |
| US-8946231-B2 | P2X3, receptor antagonists for treatment of pain | MERCK SHARP & DOHME CORP. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20120021074-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | US | disclosed |