⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3826938 | 0.84 | — | — | |
| SCHEMBL3824890 | 0.84 | — | — | |
| SCHEMBL22275274 | 0.84 | — | — | |
| SCHEMBL3822543 | 0.84 | — | — | |
| SCHEMBL22275515 | 0.79 | MAPT (0.32) | — | |
| SCHEMBL3822195 | 0.78 | — | — | |
| SCHEMBL3825860 | 0.78 | — | — | |
| SCHEMBL3822169 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL3822478 | 0.76 | HTT (0.37) | — | |
| SCHEMBL3823302 | 0.74 | KIF11 (0.32) | — |
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-112204036-B | Macrocyclic fused pyrazoles as MCL-1 inhibitors | 苏州亚盛药业有限公司 | 2022-12-27 | — | — | CN | disclosed |
| US-20220396587-A1 | MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2022-12-15 | — | — | US | disclosed |
| WO-2020151738-A1 | MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2020-07-30 | — | — | WO | disclosed |
| WO-2019008154-A1 | 3-(AZOLYLMETHOXY)BIPHENYL DERIVATIVES AS INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2019-01-10 | — | — | WO | disclosed |
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |