⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20939955 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21440357 | 0.97 | — | — | |
| SCHEMBL3200353 | 0.84 | — | — | |
| SCHEMBL9341283 | 0.84 | — | — | |
| SCHEMBL9340376 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL31644646 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31645090 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31644923 | 0.75 | — | — | |
| SCHEMBL15199098 | 0.74 | — | — | |
| SCHEMBL15199096 | 0.74 | — | — |
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 2 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 | disclosed |
| WO-2023091726-A1 | INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) | SYROS PHARMACEUTICALS, INC. (US) | 2023-05-25 | — | — | WO | disclosed |