⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31049176 | 0.76 | — | — | |
| SCHEMBL24778050 | 0.74 | L3MBTL1 (0.33) | — | |
| SCHEMBL31048879 | 0.73 | DAO (0.35) | — | |
| SCHEMBL24663931 | 0.71 | DAO (0.30) | — | |
| SCHEMBL22220077 | 0.70 | — | — | |
| SCHEMBL31049187 | 0.69 | — | — | |
| SCHEMBL22859541 | 0.67 | CCR1 (0.38) | — | |
| SCHEMBL31410007 | 0.67 | DAO (0.37) | — | |
| SCHEMBL29368111 | 0.67 | CCR1 (0.38) | — | |
| SCHEMBL24536757 | 0.66 | — | — |
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-2024167922-A2 | HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2024-08-15 | — | — | WO | disclosed |