⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL717214 | 0.75 | — | — | |
| SCHEMBL8329675 | 0.75 | — | — | |
| SCHEMBL5654467 | 0.75 | — | — | |
| SCHEMBL7320198 | 0.73 | — | — | |
| SCHEMBL15417531 | 0.71 | — | — | |
| SCHEMBL24715730 | 0.64 | — | — | |
| SCHEMBL7317713 | 0.63 | — | — | |
| SCHEMBL18971055 | 0.63 | — | — | |
| SCHEMBL19844674 | 0.62 | — | — | |
| SCHEMBL2630496 | 0.62 | — | — |
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 |