⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL464868 | 0.87 | CA12 (0.37) | — | |
| SCHEMBL332731 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL6399351 | 0.76 | — | — | |
| SCHEMBL27852450 | 0.75 | DNM1 (0.46) | — | |
| SCHEMBL2030789 | 0.75 | NFKB1 (0.30) | — | |
| Butylamine SCHEMBL18320478 | 0.73 | DNM1 (0.43) | — | |
| Ethylenediamine SCHEMBL28238444 | 0.71 | — | — | |
| SCHEMBL2030414 | 0.71 | DNM1 (0.31) | — | |
| SCHEMBL28773044 | 0.71 | ODC1 (0.36) | — | |
| SCHEMBL464862 | 0.71 | CA12 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796012-B2 | Grating-based evanescent field molecular sensor using a thin silicon waveguide layer | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2014-08-05 | — | — | US | disclosed |
| US-20110223688-A1 | GRATING-BASED EVANESCENT FIELD MOLECULAR SENSOR USING A THIN SILICON WAVEGUIDE LAYER | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2011-09-15 | — | — | US | disclosed |
| WO-2010063116-A1 | GRATING-BASED EVANESCENT FIELD MOLECULAR SENSOR USING A THIN SILICON WAVEGUIDE LAYER | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2010-06-10 | — | — | WO | disclosed |