⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18706357 | 0.77 | — | — | |
| SCHEMBL15476443 | 0.76 | TUBB4A (0.32) | — | |
| SCHEMBL3061389 | 0.76 | BRD4 (0.32) | — | |
| SCHEMBL16107542 | 0.76 | — | — | |
| SCHEMBL18705848 | 0.76 | — | — | |
| SCHEMBL1277218 | 0.75 | GPR119 (0.33) | — | |
| SCHEMBL18705886 | 0.74 | — | — | |
| SCHEMBL119711 | 0.73 | TRPV6 (0.39) | — | |
| SCHEMBL19433226 | 0.73 | CA2 (0.42) | — | |
| SCHEMBL30891 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078267-A1 | AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR | 赛诺哈勃药业（成都）有限公司 | 2023-05-11 | — | — | WO | disclosed |
| CN-116063326-A | Amino-containing macrocyclic compounds as protein kinase modulators | 赛诺哈勃药业（成都）有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-114728932-A | Polyarylates as EGFR kinase inhibitors | 江苏先声药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021104441-A1 | POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR | 江苏先声药业有限公司 | 2021-06-03 | — | — | WO | disclosed |
| US-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | disclosed |
| EP-3371151-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | Agency For Science, Technology And Research (SG) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017061957-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-04-13 | — | — | WO | disclosed |