⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL645408 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL11690149 | 0.74 | NPSR1 (0.31) | — | |
| SCHEMBL15065331 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL5447243 | 0.72 | NPSR1 (0.34) | — | |
| SCHEMBL5465101 | 0.72 | — | — | |
| SCHEMBL3887504 | 0.72 | — | — | |
| SCHEMBL16511129 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL3803757 | 0.70 | NPSR1 (0.42) | — | |
| SCHEMBL3277032 | 0.70 | GAA (0.39) | — | |
| SCHEMBL3258986 | 0.67 | KDM4E (0.33) | — |
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-105209041-A | Novel respiratory control modulating compounds and methods of use thereof | GALLEON PHARMACEUTICALS INC | 2015-12-30 | — | — | CN | disclosed |