⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10879246 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL5972395 | 0.69 | — | — | |
| SCHEMBL8888456 | 0.67 | — | — | |
| SCHEMBL14368110 | 0.63 | — | — | |
| SCHEMBL29528652 | 0.63 | — | — | |
| SCHEMBL1357139 | 0.63 | — | — | |
| SCHEMBL4009438 | 0.62 | ALDH1A1 (0.30) | — | |
| SCHEMBL29007125 | 0.62 | — | — | |
| SCHEMBL171833 | 0.62 | — | — | |
| SCHEMBL4009435 | 0.62 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8163956-B2 | Inhibitors of GLYT1 transporters | MERCK SHARP & DOHME CORP. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090286765-A1 | Therapeutic Agents | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2009-11-19 | — | — | US | disclosed |