⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104811 | 0.50 | APP (0.32) | — | |
| Carbon Dioxide SCHEMBL11682476 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL3166320 | 0.50 | — | — | |
| Carbon Dioxide SCHEMBL28189625 | 0.50 | — | — | |
| SCHEMBL676625 | 0.46 | — | — | |
| Hydrochloric Acid SCHEMBL237155 | 0.46 | IDH1 (0.41) | — | |
| Carbon Dioxide SCHEMBL28040052 | 0.45 | — | — | |
| SCHEMBL4401848 | 0.45 | — | — | |
| SCHEMBL20162413 | 0.42 | — | — | |
| Hydrochloric Acid SCHEMBL21624968 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1972938-B | Cyclic amine compound | TAISHO PHARMACEUTICAL CO LTD | 2010-09-29 | — | — | CN | disclosed |
| CN-1972938-A | Cyclic amine compound | TAISHO PHARMACEUTICAL CO LTD (JP) | 2007-05-30 | — | — | CN | disclosed |