⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13540934 | 0.81 | — | — | |
| SCHEMBL20218953 | 0.78 | NPC1 (0.47) | — | |
| SCHEMBL10489437 | 0.75 | — | — | |
| SCHEMBL8796463 | 0.72 | CASP7 (0.44) | — | |
| SCHEMBL8346675 | 0.72 | OR51E2 (0.31) | — | |
| SCHEMBL2498770 | 0.70 | — | — | |
| SCHEMBL7518249 | 0.70 | — | — | |
| SCHEMBL1000742 | 0.70 | FKBP5 (0.33) | — | |
| SCHEMBL9448441 | 0.69 | MAPT (0.44) | — | |
| SCHEMBL8663161 | 0.69 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10941139-B2 | Cryptophycin compounds and conjugates, their preparation and their therapeutic use | SANOFI (FR) | 2021-03-09 | — | — | US | disclosed |
| EP-3116857-B1 | CONSTRAINED TRICYCLIC SULFONAMIDES | ICAHN SCHOOL MED MOUNT SINAI (US) | 2019-02-06 | — | — | EP | disclosed |