⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17339054 | 1.00 | — | — | |
| SCHEMBL28547 | 1.00 | — | — | |
| SCHEMBL5078401 | 0.93 | — | — | |
| SCHEMBL28403168 | 0.81 | THRB (0.36) | — | |
| SCHEMBL483389 | 0.79 | — | — | |
| SCHEMBL9114313 | 0.79 | — | — | |
| SCHEMBL891018 | 0.76 | — | — | |
| SCHEMBL27276486 | 0.74 | — | — | |
| SCHEMBL9912304 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL1097 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023091726-A1 | INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) | SYROS PHARMACEUTICALS, INC. (US) | 2023-05-25 | — | — | WO | claimed |
| WO-2023091726-A1 | INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) | SYROS PHARMACEUTICALS, INC. (US) | 2023-05-25 | — | — | WO | disclosed |
| US-6682916-B2 | CHEMICAL INTERMEDIATE FOR DRUGS; REDUCTION USING ENZYME | KANEKA CORPORATION (JP) | 2004-01-27 | — | — | US | disclosed |
| EP-1298119-A1 | CHLOROHYDROXYACETONE DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE CHLOROPROPANEDIOL DERIVATIVE FROM THE SAME | KANEKA CORPORATION (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-20020160398-A1 | Chlorohydroxyacetone derivative and process for producing optically active chloropropanediol derivative from the same | KANEKA CORPORATION (JP) | 2002-10-31 | — | — | US | disclosed |