⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269686 | 0.90 | — | — | |
| SCHEMBL20782136 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL26148294 | 0.78 | — | — | |
| SCHEMBL23514665 | 0.78 | JAK2 (0.33) | — | |
| SCHEMBL26032877 | 0.78 | JAK2 (0.33) | — | |
| SCHEMBL26148296 | 0.77 | — | — | |
| SCHEMBL20782289 | 0.76 | ATM (0.30) | — | |
| SCHEMBL20781997 | 0.75 | OPRM1 (0.32) | — | |
| SCHEMBL15269914 | 0.74 | — | — | |
| SCHEMBL20782093 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9416115-B2 | Fused heterocyclic compounds as ion channel modulators | GILEAD SCINECES, INC. (US) | 2016-08-16 | — | — | US | disclosed |
| US-20150175560-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES, INC. | 2015-06-25 | — | — | US | disclosed |