⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28017578 | 1.00 | — | — | |
| SCHEMBL3695772 | 0.75 | — | — | |
| SCHEMBL8046910 | 0.75 | — | — | |
| SCHEMBL269951 | 0.72 | — | — | |
| SCHEMBL1469814 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL23577693 | 0.72 | — | — | |
| SCHEMBL269926 | 0.72 | — | — | |
| SCHEMBL19075449 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL30013681 | 0.72 | — | — | |
| SCHEMBL28313846 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061967-A | Heteroaryl substituted nicotinamide compounds | 百时美施贵宝公司 | 2016-10-26 | — | — | CN | claimed |