⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28929610 | 0.75 | — | — | |
| SCHEMBL8374248 | 0.73 | — | — | |
| SCHEMBL8371115 | 0.69 | — | — | |
| SCHEMBL5532955 | 0.67 | — | — | |
| SCHEMBL9868078 | 0.67 | — | — | |
| SCHEMBL10937538 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL8648090 | 0.67 | — | — | |
| SCHEMBL220417 | 0.67 | — | — | |
| SCHEMBL10837789 | 0.67 | CYP2C19 (0.35) | — | |
| SCHEMBL10306782 | 0.67 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2398558-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | claimed |
| WO-2010094659-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | claimed |