⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20441712 | 0.89 | TDP1 (0.32) | — | |
| SCHEMBL9880935 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9883212 | 0.74 | L3MBTL1 (0.35) | — | |
| SCHEMBL15047833 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL18300360 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL19256867 | 0.68 | MAPK1 (0.37) | — | |
| SCHEMBL19256875 | 0.68 | TDP1 (0.34) | — | |
| SCHEMBL19256235 | 0.66 | CNR2 (0.37) | — | |
| SCHEMBL24140212 | 0.65 | TDP1 (0.33) | — | |
| SCHEMBL21719276 | 0.65 | CNR2 (0.33) | — |
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-9951059-B2 | Dual mechanism inhibitors for the treatment of disease | AERIE PHARMACEUTICALS, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-20170233381-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | ALCON INC. (CH) | 2017-08-17 | — | — | US | disclosed |