⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24751608 | 0.89 | — | — | |
| SCHEMBL22597792 | 0.84 | — | — | |
| SCHEMBL23961431 | 0.82 | — | — | |
| SCHEMBL25629221 | 0.81 | — | — | |
| SCHEMBL22594003 | 0.78 | — | — | |
| SCHEMBL9377984 | 0.77 | — | — | |
| SCHEMBL24751797 | 0.76 | — | — | |
| SCHEMBL21911251 | 0.74 | — | — | |
| SCHEMBL18823323 | 0.74 | — | — | |
| SCHEMBL17190112 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098825-A1 | SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 勤浩医药（苏州）有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2022135390-A1 | KETOHEXOKINASE INHIBITOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-06-30 | — | — | WO | disclosed |
| US-20210332064-A1 | ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2021-10-28 | — | — | US | disclosed |
| US-20200108075-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | US | disclosed |