⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28304615 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL28651693 | 0.59 | CA5A (0.40) | — | |
| SCHEMBL14152367 | 0.55 | — | — | |
| Sulfuric Acid SCHEMBL22579019 | 0.55 | CA5A (0.55) | — | |
| Tert-Butanol SCHEMBL7737583 | 0.55 | CA5A (0.55) | — | |
| SCHEMBL27401027 | 0.55 | — | — | |
| SCHEMBL15251327 | 0.55 | — | — | |
| SCHEMBL28291148 | 0.55 | CA2 (0.39) | — | |
| Sulfuric Acid SCHEMBL28285259 | 0.53 | CA5A (0.40) | — | |
| SCHEMBL23781786 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102093775-B | Water-based ink set for ink jet recording, ink cartridge, and ink-jet recording apparatus | BROTHER IND LTD | 2013-09-25 | — | — | CN | disclosed |