⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14466544 | 0.67 | — | — | |
| SCHEMBL8388694 | 0.63 | — | — | |
| SCHEMBL762438 | 0.56 | — | — | |
| SCHEMBL13444500 | 0.54 | — | — | |
| SCHEMBL9555068 | 0.54 | — | — | |
| SCHEMBL2040652 | 0.54 | — | — | |
| SCHEMBL12294411 | 0.54 | — | — | |
| SCHEMBL795327 | 0.54 | — | — | |
| SCHEMBL764028 | 0.54 | — | — | |
| SCHEMBL18901147 | 0.54 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210347727-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPEUTICS, INC. | 2021-11-11 | — | — | US | disclosed |
| US-20210009564-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | BLADE THERAPERTICS INC (US) | 2021-01-14 | — | — | US | disclosed |
| US-10744128-B2 | 6-(5-membered heteroaryl)isoquinolin-3-yl-(5-membered heteroaryl) carboxamides and preparation and use thereof | SAMUMED, LLC (US) | 2020-08-18 | — | — | US | disclosed |
| US-20200155540-A1 | 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2020-05-21 | — | — | US | disclosed |
| US-7446110-B2 | 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators | MERCK & CO., INC. (US) | 2008-11-04 | — | — | US | disclosed |
| US-20070054933-A1 | 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators | MERCK & CO., INC (US) | 2007-03-08 | — | — | US | disclosed |