⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2673244 | 0.89 | — | — | |
| SCHEMBL23798024 | 0.69 | — | — | |
| SCHEMBL25905313 | 0.69 | — | — | |
| SCHEMBL12039702 | 0.69 | — | — | |
| SCHEMBL10187372 | 0.69 | — | — | |
| SCHEMBL17377297 | 0.68 | SLC6A3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL20744136 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL38658242 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL38657598 | 0.67 | — | — | |
| SCHEMBL15166346 | 0.67 | — | — |
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-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |