⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22202240 | 1.00 | — | — | |
| SCHEMBL25657923 | 0.83 | — | — | |
| SCHEMBL19215865 | 0.83 | — | — | |
| SCHEMBL20019609 | 0.81 | — | — | |
| SCHEMBL24367865 | 0.75 | — | — | |
| SCHEMBL25027445 | 0.75 | — | — | |
| SCHEMBL27611292 | 0.73 | — | — | |
| SCHEMBL13558588 | 0.73 | — | — | |
| SCHEMBL24009111 | 0.72 | — | — | |
| SCHEMBL27255983 | 0.71 | TRPA1 (0.33) | — |
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-20220089600-A1 | TGFß INHIBITOR AND PRODRUGS | FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) | 2022-03-24 | — | — | US | disclosed |