⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11233487 | 1.00 | — | — | |
| SCHEMBL3632970 | 0.78 | — | — | |
| SCHEMBL11410083 | 0.75 | — | — | |
| SCHEMBL4553926 | 0.73 | — | — | |
| SCHEMBL14956714 | 0.73 | — | — | |
| SCHEMBL11037255 | 0.71 | — | — | |
| SCHEMBL10576805 | 0.69 | — | — | |
| SCHEMBL427600 | 0.69 | — | — | |
| 1,1-Dichloroethene SCHEMBL11364348 | 0.68 | — | — | |
| SCHEMBL8931499 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014134772-A1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2014-09-12 | — | — | WO | disclosed |