⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL840909 | 0.70 | — | — | |
| SCHEMBL1116069 | 0.68 | — | — | |
| SCHEMBL24733293 | 0.66 | — | — | |
| SCHEMBL10211089 | 0.65 | CHRNA7 (0.42) | — | |
| SCHEMBL18722789 | 0.61 | — | — | |
| SCHEMBL7906919 | 0.61 | CHRNA7 (0.37) | — | |
| SCHEMBL8277333 | 0.60 | — | — | |
| SCHEMBL24503190 | 0.60 | KDM2B (0.30) | — | |
| SCHEMBL11912002 | 0.60 | — | — | |
| SCHEMBL1109602 | 0.59 | LMNA (0.41) | — |
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-2023114733-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-06-22 | — | — | WO | disclosed |