⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3431677 | 0.76 | — | — | |
| SCHEMBL20994065 | 0.73 | — | — | |
| SCHEMBL193426 | 0.73 | POLA1 (0.35) | — | |
| SCHEMBL15921915 | 0.72 | — | — | |
| SCHEMBL5362762 | 0.65 | — | — | |
| SCHEMBL6886965 | 0.62 | — | — | |
| SCHEMBL21179396 | 0.62 | — | — | |
| SCHEMBL16797658 | 0.62 | — | — | |
| SCHEMBL9818515 | 0.62 | — | — | |
| SCHEMBL9187292 | 0.62 | — | — |
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-3883914-A1 | ORTHO-PHTHALALDEHYDE CONTAINING LINKERS AND USE FOR PREPARATION OF ANTIBODY-DRUG CONJUGATE | Wuxi Biologics Ireland Limited (IE) | 2021-09-29 | — | — | EP | disclosed |