⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22606666 | 1.00 | — | — | |
| SCHEMBL23986247 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL8763413 | 0.73 | ADH1B (0.46) | — | |
| SCHEMBL21985331 | 0.69 | PTGS2 (0.48) | — | |
| SCHEMBL22335509 | 0.67 | CYP2A6 (0.39) | — | |
| SCHEMBL27324564 | 0.66 | ADRB2 (0.44) | — | |
| SCHEMBL22955082 | 0.65 | VHL (0.46) | — | |
| SCHEMBL19600903 | 0.65 | VHL (0.46) | — | |
| SCHEMBL11857789 | 0.65 | ESR1 (0.48) | — | |
| SCHEMBL1911630 | 0.65 | HTT (0.46) | — |
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-2017185036-A1 | BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE | DANA FARBER CANCER INSTITUTE, INC. (US) | 2017-10-26 | — | — | WO | disclosed |