⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL132665 | 0.92 | — | — | |
| SCHEMBL12588651 | 0.87 | HSD17B10 (0.30) | — | |
| SCHEMBL12588654 | 0.84 | — | — | |
| SCHEMBL133724 | 0.77 | HSD17B10 (0.36) | — | |
| SCHEMBL133991 | 0.77 | HSD17B10 (0.33) | — | |
| SCHEMBL131724 | 0.77 | — | — | |
| SCHEMBL12309836 | 0.73 | — | — | |
| SCHEMBL133943 | 0.72 | TDP1 (0.40) | — | |
| SCHEMBL10198658 | 0.69 | TDP1 (0.37) | — | |
| SCHEMBL18199245 | 0.67 | TDP1 (0.35) | — |
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-8704001-B2 | Deuterated 2-amino-3-hydroxypropanoic acid derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-20110160836-A1 | VALVE DEVICE | VYSERA BIOMEDICAL LIMITED (IE) | 2011-06-30 | — | — | US | disclosed |