⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51471 | 0.74 | BRD4 (0.39) | — | |
| SCHEMBL25832210 | 0.74 | APLNR (0.34) | — | |
| SCHEMBL52124 | 0.74 | APLNR (0.34) | — | |
| SCHEMBL14177845 | 0.71 | — | — | |
| SCHEMBL1661682 | 0.71 | APLNR (0.36) | — | |
| SCHEMBL52499 | 0.71 | — | — | |
| SCHEMBL962421 | 0.69 | — | — | |
| SCHEMBL1840372 | 0.69 | — | — | |
| SCHEMBL493211 | 0.68 | FFAR4 (0.34) | — | |
| SCHEMBL20399500 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240190855-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2024-06-13 | — | — | US | disclosed |
| EP-4291176-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2023-12-20 | — | — | EP | disclosed |
| CN-117136052-A | CDK inhibitors and methods of use thereof | 传达治疗有限公司 | 2023-11-28 | — | — | CN | disclosed |