⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23693838 | 0.81 | HRH4 (0.36) | — | |
| SCHEMBL19779245 | 0.76 | NOS3 (0.31) | — | |
| SCHEMBL24833024 | 0.76 | CCR1 (0.41) | — | |
| SCHEMBL20621313 | 0.76 | NOS3 (0.31) | — | |
| SCHEMBL28680459 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL31043414 | 0.72 | — | — | |
| SCHEMBL21173560 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL23137480 | 0.70 | NOS2 (0.37) | — | |
| SCHEMBL24502498 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL19769066 | 0.70 | ADRA2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021147967-A1 | MACROCYCLIC COMPOUND SERVING AS KRAS INHIBITOR | 南京明德新药研发有限公司 | 2021-07-29 | — | — | WO | disclosed |