⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13312938 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL6909002 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL29107811 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL12166853 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL29107520 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL30492005 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL12418390 | 0.69 | TRPA1 (0.35) | — | |
| SCHEMBL12418395 | 0.69 | TRPA1 (0.35) | — | |
| SCHEMBL9918285 | 0.69 | TRPA1 (0.35) | — | |
| SCHEMBL4845164 | 0.69 | CA1 (0.37) | — |
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-20160106728-A1 | METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE | ACADEMIA SINICA (TW) | 2016-04-21 | — | — | US | disclosed |