⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18161922 | 0.73 | HDAC3 (0.35) | — | |
| SCHEMBL24637546 | 0.69 | PTGS1 (0.44) | — | |
| SCHEMBL18161924 | 0.68 | HDAC1 (0.39) | — | |
| SCHEMBL12301776 | 0.67 | PTGS1 (0.51) | — | |
| SCHEMBL19295814 | 0.64 | AKT1 (0.33) | — | |
| SCHEMBL12301787 | 0.64 | PTGS1 (0.64) | — | |
| SCHEMBL24637631 | 0.64 | PTGS1 (0.64) | — | |
| SCHEMBL21663130 | 0.63 | ADRA1A (0.44) | — | |
| SCHEMBL26570815 | 0.63 | MGLL (0.34) | — | |
| SCHEMBL23680466 | 0.63 | MGLL (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240226313-A1 | CEACAM5 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF | SEAGEN INC. | 2024-07-11 | — | — | US | disclosed |