⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20054896 | 0.84 | — | — | |
| SCHEMBL20054906 | 0.78 | ELANE (0.38) | — | |
| SCHEMBL21440526 | 0.75 | — | — | |
| SCHEMBL24715077 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL19647089 | 0.74 | — | — | |
| SCHEMBL19647086 | 0.73 | — | — | |
| SCHEMBL17662455 | 0.70 | — | — | |
| SCHEMBL19647058 | 0.69 | — | — | |
| SCHEMBL106867 | 0.69 | RIPK1 (0.37) | — | |
| SCHEMBL12027013 | 0.68 | ELANE (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3327027-A1 | CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF | Pfizer Inc (US) | 2018-05-30 | — | — | EP | disclosed |