⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4723749 | 0.94 | — | — | |
| SCHEMBL4722164 | 0.92 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL30552228 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL21346907 | 0.88 | — | — | |
| SCHEMBL3586396 | 0.76 | GNAI3 (0.31) | — | |
| SCHEMBL4724222 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL4721850 | 0.76 | POLB (0.32) | — | |
| SCHEMBL21613654 | 0.73 | NPC1 (0.32) | — | |
| SCHEMBL8718542 | 0.73 | — | — | |
| SCHEMBL26003792 | 0.72 | DNM1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108276382-B | Cyclin-dependent kinase inhibitor and application thereof | 南京圣和药物研发有限公司 | 2022-10-18 | — | — | CN | disclosed |
| EP-3985013-A1 | ROMO1-DERIVED ANTIMICROBIAL PEPTIDES INCLUDING LYSINE SUBSTITUTION AND VARIANTS THEREOF | Korea University Research and Business Foundation (KR) | 2022-04-20 | — | — | EP | disclosed |