⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31399395 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL1779488 | 0.72 | — | — | |
| SCHEMBL275888 | 0.72 | — | — | |
| SCHEMBL29290788 | 0.70 | — | — | |
| SCHEMBL4397408 | 0.70 | — | — | |
| SCHEMBL17399885 | 0.70 | — | — | |
| SCHEMBL5173532 | 0.70 | — | — | |
| SCHEMBL21333260 | 0.65 | MCL1 (0.55) | — | |
| SCHEMBL3828174 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL15996305 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117580843-A | Antibacterial compounds | 爱尔兰詹森科学公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-117440958-A | Antibacterial compounds | 爱尔兰詹森科学公司 | 2024-01-23 | — | — | CN | disclosed |
| US-20230192703-A1 | Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof | Suzhou Alphama Biotechnology Co., Ltd. (CN) | 2023-06-22 | — | — | US | disclosed |
| WO-2021227904-A1 | POLYCYCLIC AMIDE DERIVATIVE AS CDK9 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2021-11-18 | — | — | WO | disclosed |
| CN-1077955-A | Hete rocyclic derivatives | FUJISAWA PHARMACEUTICAL CO (JP) | 1993-11-03 | — | — | CN | disclosed |