⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4095283 | 0.77 | TGM2 (0.33) | — | |
| SCHEMBL8033032 | 0.77 | TGM2 (0.33) | — | |
| SCHEMBL797931 | 0.72 | — | — | |
| SCHEMBL9067621 | 0.72 | — | — | |
| SCHEMBL2384816 | 0.72 | CA1 (0.35) | — | |
| SCHEMBL22042420 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL18045366 | 0.70 | CA12 (0.32) | — | |
| SCHEMBL8840223 | 0.69 | — | — | |
| SCHEMBL8951789 | 0.69 | — | — | |
| SCHEMBL5365317 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017161028-A1 | SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE | KURA ONCOLOGY, INC. (US) | 2017-09-21 | — | — | WO | disclosed |
| WO-2014152588-A1 | COVALENT INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2014-09-25 | — | — | WO | disclosed |