⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1686187 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL310507 | 0.79 | HTT (0.31) | — | |
| SCHEMBL14050448 | 0.75 | SLC29A1 (0.31) | — | |
| SCHEMBL19353758 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL22000867 | 0.74 | — | — | |
| SCHEMBL17320130 | 0.70 | — | — | |
| SCHEMBL8617183 | 0.69 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7807867 | 0.68 | — | — | |
| SCHEMBL12887603 | 0.66 | — | — | |
| SCHEMBL26451687 | 0.65 | KDM4C (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2062872-B1 | Use of bis-amines to enhance the antimicrobial activity of aqueous compositions | NOVARTIS AG (CH) | 2015-12-09 | — | — | EP | disclosed |