⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28233726 | 0.85 | CYP1A2 (0.32) | — | |
| SCHEMBL8644477 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL1001103 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28234765 | 0.71 | FFAR3 (0.36) | — | |
| SCHEMBL19874190 | 0.70 | FFAR3 (0.38) | — | |
| SCHEMBL3152534 | 0.68 | — | — | |
| SCHEMBL5162261 | 0.68 | — | — | |
| SCHEMBL8153497 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL28234773 | 0.67 | CYP2C19 (0.36) | — | |
| SCHEMBL13472248 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3649119-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2021-11-03 | — | — | EP | disclosed |
| US-20210315893-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GILEAD SCIENCES, INC. | 2021-10-14 | — | — | US | disclosed |