⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19730156 | 0.78 | — | — | |
| SCHEMBL9279338 | 0.68 | — | — | |
| SCHEMBL19730150 | 0.67 | — | — | |
| SCHEMBL15307800 | 0.67 | — | — | |
| SCHEMBL18810427 | 0.67 | — | — | |
| SCHEMBL6679706 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL19738357 | 0.66 | CHRNB2 (0.34) | — | |
| SCHEMBL6674586 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL25079412 | 0.65 | GAA (0.33) | — | |
| SCHEMBL11567471 | 0.60 | — | — |
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-20170362235-A1 | ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF | VASADE BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |