⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22643655 | 0.79 | — | — | |
| SCHEMBL18878415 | 0.77 | — | — | |
| SCHEMBL19518866 | 0.72 | — | — | |
| SCHEMBL20341755 | 0.72 | — | — | |
| SCHEMBL23556025 | 0.69 | — | — | |
| SCHEMBL15831641 | 0.69 | — | — | |
| SCHEMBL21104398 | 0.69 | — | — | |
| SCHEMBL23515765 | 0.69 | — | — | |
| SCHEMBL21517296 | 0.69 | — | — | |
| SCHEMBL21237775 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023164235-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2023-08-31 | — | — | WO | disclosed |
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |