⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072896 | 0.80 | — | — | |
| SCHEMBL2728634 | 0.78 | CYP2C19 (0.32) | — | |
| SCHEMBL19231488 | 0.77 | — | — | |
| SCHEMBL14638747 | 0.76 | NPSR1 (0.38) | — | |
| SCHEMBL21738681 | 0.76 | — | — | |
| SCHEMBL18653337 | 0.76 | — | — | |
| SCHEMBL18087338 | 0.72 | CYP2C19 (0.33) | — | |
| SCHEMBL17662468 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL16670401 | 0.70 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL15113880 | 0.69 | — | — |
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-11007275-B2 | Cryptophycin antibody conjugates for the treatment of cancer | SANOFI (FR) | 2021-05-18 | — | — | US | disclosed |