⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5967591 | 0.98 | MAPT (0.37) | — | |
| SCHEMBL11557317 | 0.83 | — | — | |
| SCHEMBL11744647 | 0.83 | — | — | |
| SCHEMBL13425137 | 0.77 | — | — | |
| SCHEMBL10789189 | 0.77 | — | — | |
| SCHEMBL13853422 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10490870 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL6624332 | 0.71 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL14566357 | 0.71 | HDAC3 (0.35) | — | |
| SCHEMBL16353049 | 0.71 | CYP2C19 (0.58) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170035893-A1 | ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE | 2017-02-09 | — | — | US | disclosed |
| EP-1183237-B1 | NOVEL ANTIOXIDANTS, PREPARATION METHODS AND USES | CENTRE NAT RECH SCIENT (FR) | 2004-01-28 | — | — | EP | disclosed |
| EP-1183237-A1 | NOVEL ANTIOXIDANTS, PREPARATION METHODS AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000073266-A1 | NOVEL ANTIOXIDANTS, PREPARATION METHODS AND USES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2000-12-07 | — | — | WO | disclosed |