⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3346122 | 0.73 | — | — | |
| SCHEMBL133715 | 0.73 | — | — | |
| SCHEMBL3073668 | 0.73 | — | — | |
| SCHEMBL773442 | 0.73 | — | — | |
| SCHEMBL641265 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL20105005 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6660151 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6360429 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4105877 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6782765 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3858835-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 Therapeutics, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |