⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16691101 | 0.69 | — | — | |
| SCHEMBL16691197 | 0.65 | — | — | |
| SCHEMBL16691102 | 0.60 | — | — | |
| SCHEMBL10044305 | 0.60 | DRD3 (0.31) | — | |
| SCHEMBL12454306 | 0.55 | KDM4E (0.43) | — | |
| SCHEMBL3016482 | 0.54 | ALDH1A1 (0.36) | — | |
| SCHEMBL3021494 | 0.54 | ALDH1A1 (0.36) | — | |
| SCHEMBL29819838 | 0.53 | KDM4E (0.38) | — | |
| SCHEMBL17706345 | 0.50 | APP (0.41) | — | |
| SCHEMBL29340455 | 0.49 | KDM4E (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120045784-A1 | BIOTINIDASE ASSAY | Joachim Ngiamas trustee for Joachim Ngiam Trust Fund ABN | 2012-02-23 | — | — | US | disclosed |
| WO-2010106222-A2 | BIOTINIDASE ASSAY | WALLAC OY (FI) | 2010-09-23 | — | — | WO | disclosed |