⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL619181 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL619182 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL28708124 | 0.81 | — | — | |
| SCHEMBL12127403 | 0.81 | — | — | |
| SCHEMBL13123961 | 0.81 | — | — | |
| SCHEMBL1395636 | 0.80 | SLC6A19 (0.44) | — | |
| SCHEMBL1395660 | 0.80 | SLC6A19 (0.44) | — | |
| SCHEMBL2535335 | 0.80 | SLC6A19 (0.44) | — | |
| SCHEMBL19188179 | 0.79 | — | — | |
| SCHEMBL2784701 | 0.77 | PSMB11 (0.42) | — |
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-2019193509-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2019-10-10 | — | — | WO | disclosed |
| WO-2018071404-A1 | INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF | ISOCURE BIOSCIENCES INC. (US) | 2018-04-19 | — | — | WO | disclosed |