⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26315592 | 0.86 | — | — | |
| SCHEMBL22645140 | 0.78 | — | — | |
| SCHEMBL20362662 | 0.76 | — | — | |
| SCHEMBL18944640 | 0.72 | — | — | |
| SCHEMBL12697499 | 0.70 | — | — | |
| SCHEMBL19316119 | 0.68 | LMNA (0.33) | — | |
| SCHEMBL19316108 | 0.68 | IMPDH2 (0.35) | — | |
| SCHEMBL12508935 | 0.68 | — | — | |
| SCHEMBL27947164 | 0.66 | — | — | |
| SCHEMBL23507843 | 0.65 | CYP3A4 (0.42) | — |
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-20230293519-A1 | INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS | PLIANT THERAPEUTICS INC (US) | 2023-09-21 | — | — | US | disclosed |