⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27657273 | 0.74 | NFKB1 (0.38) | — | |
| SCHEMBL6225603 | 0.72 | POLB (0.54) | — | |
| SCHEMBL18571420 | 0.70 | — | — | |
| SCHEMBL6206004 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL28265319 | 0.68 | — | — | |
| SCHEMBL193861 | 0.68 | — | — | |
| SCHEMBL27546426 | 0.68 | AKR1B1 (0.31) | — | |
| SCHEMBL16718037 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27969702 | 0.67 | — | — | |
| Benzene SCHEMBL28096982 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111094265-B | Pyrazole derivative compound and use thereof | 韩美药品株式会社 | 2023-07-25 | — | — | CN | disclosed |
| CN-109071504-B | Inhibitors of receptor interacting protein kinase 1 | 戴纳立制药公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-111094265-A | Pyrazole derivative compound and use thereof | 韩美药品株式会社 | 2020-05-01 | — | — | CN | disclosed |
| CN-104507913-A | Antiproliferative benzo[b]azepin-2-ones | HOFFMANN LA ROCHE | 2015-04-08 | — | — | CN | disclosed |
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |