⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28907100 | 0.97 | — | — | |
| SCHEMBL17469451 | 0.94 | — | — | |
| SCHEMBL15612914 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28506550 | 0.86 | — | — | |
| SCHEMBL20934798 | 0.77 | — | — | |
| SCHEMBL24946340 | 0.75 | SLC6A4 (0.36) | — | |
| SCHEMBL21843741 | 0.75 | SLC6A4 (0.36) | — | |
| SCHEMBL22624046 | 0.74 | — | — | |
| SCHEMBL21843950 | 0.74 | — | — | |
| SCHEMBL20033754 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547270-A | 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure | 阿斯利康(瑞典)有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-109415358-B | 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators | 詹森药业有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-109415358-A | 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators | 詹森药业有限公司 | 2019-03-01 | — | — | CN | disclosed |