⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7238131 | 0.94 | — | — | |
| SCHEMBL3370457 | 0.81 | — | — | |
| SCHEMBL6838748 | 0.79 | — | — | |
| SCHEMBL2011389 | 0.79 | — | — | |
| SCHEMBL3734701 | 0.65 | — | — | |
| SCHEMBL5909605 | 0.64 | — | — | |
| SCHEMBL2229984 | 0.64 | — | — | |
| SCHEMBL513824 | 0.60 | — | — | |
| SCHEMBL9450890 | 0.60 | — | — | |
| SCHEMBL2126834 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981675-A | Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use | 百济神州有限公司 | 2023-10-31 | — | — | CN | disclosed |
| US-20200397755-A1 | DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2020-12-24 | — | — | US | disclosed |
| US-6407284-B1 | CONTACTING WITH ENZYME; HYDROLYSIS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-18 | — | — | US | disclosed |