⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26602086 | 0.85 | LPL (0.30) | — | |
| SCHEMBL15031645 | 0.82 | HIF1A (0.33) | — | |
| SCHEMBL23454369 | 0.78 | LPL (0.31) | — | |
| SCHEMBL19462211 | 0.76 | HTR1D (0.33) | — | |
| SCHEMBL31222982 | 0.75 | QDPR (0.46) | — | |
| SCHEMBL17669557 | 0.74 | SOS1 (0.32) | — | |
| SCHEMBL29421615 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL21236510 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL2524652 | 0.69 | LPL (0.36) | — | |
| SCHEMBL30945238 | 0.69 | LPL (0.36) | — |
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-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |