⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18469788 | 0.88 | PPARG (0.32) | — | |
| SCHEMBL21166419 | 0.85 | PPARG (0.36) | — | |
| SCHEMBL9004542 | 0.84 | — | — | |
| SCHEMBL18431636 | 0.83 | PPARG (0.41) | — | |
| SCHEMBL18431776 | 0.77 | TRPA1 (0.31) | — | |
| SCHEMBL6914565 | 0.77 | IAPP (0.40) | — | |
| SCHEMBL24599174 | 0.75 | — | — | |
| SCHEMBL12313007 | 0.74 | PPARG (0.47) | — | |
| SCHEMBL9069836 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL27439650 | 0.73 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10844077-B2 | Thiazolyl-containing compounds for treating proliferative diseases | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-11-24 | — | — | US | disclosed |
| US-10828300-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-11-10 | — | — | US | disclosed |
| US-20200165267-A1 | THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-05-28 | — | — | US | disclosed |
| US-20190135835-A1 | MK2 INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-05-09 | — | — | US | disclosed |
| US-20190117650-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-04-25 | — | — | US | disclosed |
| US-9987276-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE CAR LLC (BM) | 2018-06-05 | — | — | US | disclosed |