⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2730482 | 0.67 | — | — | |
| SCHEMBL21720183 | 0.65 | — | — | |
| SCHEMBL877154 | 0.65 | — | — | |
| SCHEMBL12150579 | 0.65 | — | — | |
| SCHEMBL2642498 | 0.65 | — | — | |
| SCHEMBL547688 | 0.65 | — | — | |
| SCHEMBL5395670 | 0.63 | APP (0.44) | — | |
| SCHEMBL12045423 | 0.61 | — | — | |
| SCHEMBL9852100 | 0.61 | — | — | |
| SCHEMBL803125 | 0.61 | CNR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015158605-A1 | HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2011045415-A2 | NEW IMAGING AGENTS AND THEIR USE FOR THE DIAGNOSTIC IN VIVO OF NEURODEGENERATIVE DISEASES, NOTABLY ALZHEIMER'S DISEASE AND DERIVATIVE DISEASES | GUERBET (FR) | 2011-04-21 | — | — | WO | disclosed |