⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16978993 | 1.00 | — | — | |
| SCHEMBL8391212 | 0.87 | HDAC8 (0.44) | — | |
| SCHEMBL4749550 | 0.87 | HDAC8 (0.44) | — | |
| SCHEMBL8391210 | 0.87 | HDAC8 (0.44) | — | |
| SCHEMBL12188160 | 0.85 | HDAC8 (0.40) | — | |
| SCHEMBL16939212 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL20715182 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL22198680 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL16939213 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL16941444 | 0.77 | HDAC8 (0.35) | — |
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 3 patents. 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 |
| WO-2022221704-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER | HOTSPOT THERAPEUTICS, INC. (US) | 2022-10-20 | — | — | WO | disclosed |
| WO-2015116786-A1 | NEPRILYSIN INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-08-06 | — | — | WO | disclosed |