⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2424888 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL2260538 | 0.74 | CHRNB2 (0.32) | — | |
| SCHEMBL10560214 | 0.74 | ASIC3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29933481 | 0.72 | AOC1 (0.31) | — | |
| SCHEMBL17935116 | 0.69 | GSK3A (0.31) | — | |
| SCHEMBL4987157 | 0.69 | GSK3A (0.33) | — | |
| SCHEMBL2261557 | 0.69 | NOTUM (0.33) | — | |
| SCHEMBL29568634 | 0.69 | CYP2A6 (0.35) | — | |
| SCHEMBL18239066 | 0.69 | USP1 (0.33) | — | |
| SCHEMBL288995 | 0.68 | MEN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013066835-A2 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2013-05-10 | — | — | WO | disclosed |