⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19637079 | 0.75 | HTT (0.32) | — | |
| SCHEMBL22994841 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL19637432 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL14141549 | 0.65 | NR5A1 (0.46) | — | |
| SCHEMBL899058 | 0.64 | NR5A1 (0.43) | — | |
| SCHEMBL19637369 | 0.63 | HTT (0.35) | — | |
| SCHEMBL11587263 | 0.62 | NR5A1 (0.47) | — | |
| SCHEMBL11009919 | 0.62 | NR5A1 (0.47) | — | |
| SCHEMBL25384494 | 0.62 | NR5A1 (0.47) | — | |
| SCHEMBL17132049 | 0.61 | NR5A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |