⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4454910 | 1.00 | — | — | |
| SCHEMBL4754546 | 0.79 | — | — | |
| SCHEMBL2128235 | 0.79 | CPA1 (0.44) | — | |
| SCHEMBL27866336 | 0.77 | CPA1 (0.34) | — | |
| SCHEMBL27849372 | 0.77 | CPA1 (0.34) | — | |
| SCHEMBL7949800 | 0.74 | CPA1 (0.44) | — | |
| SCHEMBL14986036 | 0.74 | CPA1 (0.44) | — | |
| SCHEMBL6856475 | 0.74 | CPA1 (0.44) | — | |
| SCHEMBL11313334 | 0.73 | CPA1 (0.38) | — | |
| SCHEMBL159060 | 0.73 | — | — |
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-2022204544-A1 | MACROCYCLIC EGFR INHIBITORS FOR THE TREATMENT OF CANCER | THESEUS PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |