⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38880 | 0.69 | — | — | |
| SCHEMBL6300702 | 0.68 | GAA (0.33) | — | |
| Nitrilotriacetic Acid SCHEMBL986503 | 0.64 | TDP1 (0.37) | — | |
| SCHEMBL5675179 | 0.62 | HTT (0.34) | — | |
| SCHEMBL10744972 | 0.62 | ALOX15 (0.43) | — | |
| Edetic Acid SCHEMBL985337 | 0.62 | TDP1 (0.48) | — | |
| Nitrilotriacetic Acid SCHEMBL986939 | 0.61 | GAA (0.48) | — | |
| Pentetic Acid SCHEMBL987206 | 0.61 | TDP1 (0.50) | — | |
| SCHEMBL10740268 | 0.60 | ALOX15 (0.35) | — | |
| Bicarbonate SCHEMBL2909437 | 0.60 | HTT (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0892827-B1 | STABILIZER COMPOSITION | CLARIANT FINANCE BVI LTD (VG) | 2004-07-07 | — | — | EP | disclosed |
| US-6126861-A | FOR STABILIZING NATURAL OR SYNTHETIC ORGANIC POLYMERIC OR PREPOLYMERIC SUBSTRATES AGAINST THE DAMAGE EFFECTED BY LIGHT, HEAT AND/OR OXIDATION | CLARIANT FINANCE (BVI) LIMITED (VG) | 2000-10-03 | — | — | US | disclosed |