⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16211600 | 0.76 | — | — | |
| SCHEMBL18634640 | 0.67 | — | — | |
| SCHEMBL23815976 | 0.67 | — | — | |
| SCHEMBL17284546 | 0.65 | — | — | |
| SCHEMBL6250482 | 0.61 | — | — | |
| Iodide SCHEMBL3822790 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL152210 | 0.59 | — | — | |
| SCHEMBL13410146 | 0.58 | — | — | |
| SCHEMBL13140708 | 0.57 | — | — | |
| SCHEMBL12019020 | 0.57 | SPHK2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10010549-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20180133219-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-05-17 | — | — | US | disclosed |