⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251689 | 1.00 | — | — | |
| SCHEMBL8517756 | 1.00 | — | — | |
| SCHEMBL3263623 | 1.00 | — | — | |
| SCHEMBL289603 | 1.00 | — | — | |
| SCHEMBL861285 | 1.00 | — | — | |
| SCHEMBL1627426 | 1.00 | — | — | |
| SCHEMBL1147856 | 1.00 | — | — | |
| Acetic Acid SCHEMBL4539714 | 0.91 | — | — | |
| Acetic Acid SCHEMBL4544291 | 0.91 | — | — | |
| Acetic Acid SCHEMBL4544140 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6015455-A | INK JET RECORDING INK COMPRISING WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AT LEAST ONE DYE HAVING AT LEAST ONE CARBOXYL GROUP, A SUBSTITUTED AROMATIC COMPOUND, AND AT LEAST ONE COMPOUND SELECTED FROM ALKALI METAL HYDROXIDES | FUJI XEROX CO., LTD. (JP) | 2000-01-18 | — | — | US | disclosed |
| US-4307034-A | ALKYLATION | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1981-12-22 | — | — | US | disclosed |