⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2277715 | 0.70 | — | — | |
| SCHEMBL17893249 | 0.70 | — | — | |
| SCHEMBL23175346 | 0.70 | — | — | |
| SCHEMBL2036749 | 0.69 | — | — | |
| SCHEMBL7387067 | 0.67 | PAK4 (0.34) | — | |
| SCHEMBL11998925 | 0.67 | PAK4 (0.34) | — | |
| SCHEMBL75105 | 0.65 | — | — | |
| SCHEMBL15219212 | 0.65 | — | — | |
| SCHEMBL17138336 | 0.65 | — | — | |
| SCHEMBL13779596 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120214762-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | GENENTECH, INC. (US) | 2012-08-23 | — | — | US | disclosed |