⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18509817 | 0.66 | — | — | |
| SCHEMBL25125525 | 0.66 | — | — | |
| SCHEMBL24277825 | 0.65 | — | — | |
| SCHEMBL19868864 | 0.62 | — | — | |
| SCHEMBL12977946 | 0.61 | — | — | |
| SCHEMBL24531711 | 0.60 | CA12 (0.32) | — | |
| SCHEMBL20380911 | 0.60 | — | — | |
| SCHEMBL19253566 | 0.60 | NFKB1 (0.33) | — | |
| SCHEMBL24376402 | 0.59 | — | — | |
| SCHEMBL21993691 | 0.59 | — | — |
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-2017096045-A1 | MULTIVALENT RAS BINDING COMPOUNDS | KYRAS THERAPEUTICS, INC. (US) | 2017-06-08 | — | — | WO | disclosed |