⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12324542 | 0.71 | COMT (0.33) | — | |
| SCHEMBL22458157 | 0.71 | — | — | |
| SCHEMBL28422369 | 0.68 | — | — | |
| SCHEMBL22591322 | 0.67 | — | — | |
| SCHEMBL20154100 | 0.67 | TRPV4 (0.32) | — | |
| SCHEMBL18923145 | 0.67 | CA2 (0.31) | — | |
| SCHEMBL18612246 | 0.67 | P2RX7 (0.32) | — | |
| SCHEMBL22678523 | 0.65 | — | — | |
| SCHEMBL8615297 | 0.64 | KDM4E (0.41) | — | |
| SCHEMBL18641487 | 0.62 | LOXL2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023164237-A1 | COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2023-08-31 | — | — | WO | disclosed |