⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23573562 | 0.91 | MME (0.37) | — | |
| SCHEMBL21856103 | 0.85 | OPRM1 (0.38) | — | |
| SCHEMBL20899789 | 0.80 | — | — | |
| SCHEMBL8787168 | 0.80 | — | — | |
| SCHEMBL13734934 | 0.79 | MGAM (0.31) | — | |
| SCHEMBL13274038 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL28060870 | 0.78 | OPRM1 (0.33) | — | |
| SCHEMBL3151070 | 0.77 | — | — | |
| SCHEMBL19742579 | 0.76 | — | — | |
| SCHEMBL16225020 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11014911-B2 | CDK2 inhibitors | PFIZER INC. (US) | 2021-05-25 | — | — | US | disclosed |
| US-20200247784-A1 | CDK2 INHIBITORS | PFIZER INC. (US) | 2020-08-06 | — | — | US | disclosed |
| WO-2020157652-A2 | CDK2 INHIBITORS | PFIZER INC. (US) | 2020-08-06 | — | — | WO | disclosed |
| WO-2019075291-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-04-18 | — | — | WO | disclosed |