⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8778847 | 0.84 | CA2 (0.47) | — | |
| SCHEMBL7675688 | 0.82 | CA2 (0.55) | — | |
| SCHEMBL11458078 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL8778734 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL8778762 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL8778697 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL8778742 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL8778757 | 0.80 | CA2 (0.59) | — | |
| SCHEMBL11139496 | 0.80 | CA2 (0.41) | — | |
| SCHEMBL6531820 | 0.79 | — | — |
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 |