⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL218983 | 0.65 | — | — | |
| SCHEMBL1232284 | 0.63 | — | — | |
| SCHEMBL59230 | 0.62 | — | — | |
| Water SCHEMBL27271178 | 0.61 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL1492471 | 0.61 | KDM4E (0.32) | — | |
| Methane SCHEMBL29087179 | 0.61 | KDM4E (0.32) | — | |
| SCHEMBL27622904 | 0.61 | KDM4E (0.32) | — | |
| SCHEMBL5020183 | 0.61 | MEN1 (0.46) | — | |
| SCHEMBL5020195 | 0.59 | HSP90AA1 (0.32) | — | |
| SCHEMBL17791784 | 0.59 | — | — |
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-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |