⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14002551 | 0.72 | — | — | |
| SCHEMBL9817263 | 0.71 | — | — | |
| SCHEMBL25097393 | 0.67 | — | — | |
| SCHEMBL25151812 | 0.67 | — | — | |
| SCHEMBL23994635 | 0.65 | CYP19A1 (0.39) | — | |
| SCHEMBL25096420 | 0.61 | — | — | |
| SCHEMBL14305978 | 0.59 | PDE10A (0.30) | — | |
| SCHEMBL19957520 | 0.57 | — | — | |
| SCHEMBL27829604 | 0.54 | — | — | |
| SCHEMBL4908164 | 0.52 | — | — |
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-2017214282-A1 | ANTI-EGFR ANTIBODY DRUG CONJUGATES | ABBVIE INC. (US) | 2017-12-14 | — | — | WO | disclosed |