⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11240266 | 0.82 | — | — | |
| SCHEMBL7576770 | 0.75 | — | — | |
| SCHEMBL12635790 | 0.75 | — | — | |
| SCHEMBL28008792 | 0.75 | — | — | |
| SCHEMBL9432352 | 0.73 | — | — | |
| SCHEMBL14019304 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL14033143 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL14582789 | 0.70 | CYP3A4 (0.44) | — | |
| SCHEMBL1351478 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL29174066 | 0.69 | TSHR (0.52) | — |
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-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |