⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9780543 | 0.77 | — | — | |
| SCHEMBL9629804 | 0.77 | — | — | |
| SCHEMBL9405677 | 0.77 | — | — | |
| SCHEMBL7858249 | 0.75 | — | — | |
| SCHEMBL23009184 | 0.71 | — | — | |
| SCHEMBL12101931 | 0.71 | — | — | |
| SCHEMBL17636165 | 0.71 | — | — | |
| SCHEMBL10206029 | 0.71 | — | — | |
| SCHEMBL20288090 | 0.71 | — | — | |
| SCHEMBL12591668 | 0.71 | — | — |
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-8796272-B2 | Glycine transporter-inhibiting substances | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2014-08-05 | — | — | US | disclosed |