⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL28376464 | 0.89 | CA2 (0.39) | — | |
| Propanol SCHEMBL7211728 | 0.89 | — | — | |
| Methanesulfonamide SCHEMBL28523751 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL921213 | 0.85 | — | — | |
| Dimethyl Sulfone SCHEMBL7105948 | 0.84 | — | — | |
| Dimethyl Sulfone SCHEMBL7886489 | 0.84 | — | — | |
| Propanol SCHEMBL28533351 | 0.83 | TSHR (0.39) | — | |
| Sulfuric Acid SCHEMBL8613115 | 0.81 | CA5A (0.43) | — | |
| Sulfuric Acid SCHEMBL8613107 | 0.81 | CA5A (0.43) | — | |
| Sulfuric Acid SCHEMBL28535717 | 0.81 | CA5A (0.43) | — |
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-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | claimed |
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0602914-A1 | Ink compositions for ink jet printing | XEROX CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |