⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7426721 | 0.81 | — | — | |
| SCHEMBL3945997 | 0.79 | — | — | |
| SCHEMBL14151769 | 0.75 | BACE1 (0.30) | — | |
| SCHEMBL18989643 | 0.74 | — | — | |
| SCHEMBL7002479 | 0.74 | — | — | |
| SCHEMBL3939674 | 0.73 | MAP3K7 (0.33) | — | |
| SCHEMBL3938829 | 0.73 | MAPT (0.42) | — | |
| SCHEMBL9978972 | 0.72 | — | — | |
| SCHEMBL14889066 | 0.72 | — | — | |
| SCHEMBL4584063 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |