⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8441930 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL4614317 | 0.88 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL711303 | 0.87 | — | — | |
| SCHEMBL4613205 | 0.84 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL14111823 | 0.83 | — | — | |
| SCHEMBL10424766 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL15022831 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL1083129 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL4374425 | 0.77 | — | — | |
| SCHEMBL18279514 | 0.76 | LMNA (0.48) | — |
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-5997623-A | Ink jet inks comprising anti-curl agents and printing processes | XEROX CORPORATION (US) | 1999-12-07 | — | — | US | claimed |
| EP-0885940-B1 | Ink jet inks comprising anti-curl agents and printing processes | XEROX CORP (US) | 2008-02-20 | — | — | EP | disclosed |
| EP-0885940-A1 | Ink jet inks comprising anti-curl agents and printing processes | XEROX CORPORATION (US) | 1998-12-23 | — | — | EP | disclosed |