⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26374019 | 0.75 | — | — | |
| SCHEMBL22487817 | 0.72 | PLA2G1B (0.33) | — | |
| SCHEMBL26349528 | 0.69 | — | — | |
| SCHEMBL27418537 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL23935906 | 0.68 | — | — | |
| SCHEMBL23896697 | 0.68 | — | — | |
| SCHEMBL22402427 | 0.67 | — | — | |
| SCHEMBL25096697 | 0.66 | CA12 (0.31) | — | |
| SCHEMBL27277912 | 0.65 | — | — | |
| SCHEMBL23788767 | 0.65 | ALDH1A1 (0.34) | — |
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-4126841-B1 | COMPOUNDS FOR INHIBITION OF FIBROBLAST ACTIVATION PROTEIN | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) | 2023-09-27 | — | — | EP | disclosed |