⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25584079 | 0.84 | — | — | |
| SCHEMBL25584078 | 0.84 | — | — | |
| SCHEMBL21576053 | 0.84 | — | — | |
| SCHEMBL16081656 | 0.82 | — | — | |
| SCHEMBL23676492 | 0.81 | TRPA1 (0.34) | — | |
| SCHEMBL29310381 | 0.78 | MDM2 (0.30) | — | |
| SCHEMBL18973527 | 0.73 | TRPM8 (0.35) | — | |
| SCHEMBL19068178 | 0.72 | — | — | |
| SCHEMBL15077298 | 0.70 | — | — | |
| SCHEMBL25480427 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170158702-A1 | MULTIVALENT RAS BINDING COMPOUNDS | KYRAS THERAPEUTICS, INC. | 2017-06-08 | — | — | US | disclosed |