⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20464447 | 0.76 | CYP2C19 (0.32) | — | |
| SCHEMBL13672675 | 0.75 | — | — | |
| SCHEMBL9657394 | 0.73 | — | — | |
| SCHEMBL196115 | 0.71 | — | — | |
| SCHEMBL20893607 | 0.71 | — | — | |
| SCHEMBL8404334 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL17147519 | 0.71 | EPHX1 (0.33) | — | |
| SCHEMBL17147396 | 0.71 | CA12 (0.44) | — | |
| SCHEMBL20392334 | 0.71 | MEN1 (0.48) | — | |
| SCHEMBL2004946 | 0.67 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200331925-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION | G1 THERAPEUTICS, INC. (US) | 2020-10-22 | — | — | US | disclosed |