⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12562248 | 0.82 | — | — | |
| SCHEMBL6220230 | 0.77 | — | — | |
| SCHEMBL12163430 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL12163477 | 0.69 | — | — | |
| SCHEMBL8371332 | 0.67 | — | — | |
| SCHEMBL727885 | 0.65 | — | — | |
| SCHEMBL14889989 | 0.65 | — | — | |
| SCHEMBL22019297 | 0.63 | — | — | |
| SCHEMBL25848372 | 0.63 | — | — | |
| SCHEMBL24139949 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367838-B2 | Amines or amino alcohols as GLYT1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120232033-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | KOLCZEWSKI SABINE (DE) | 2012-09-13 | — | — | US | disclosed |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | US | disclosed |