⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6534672 | 0.78 | — | — | |
| SCHEMBL45233 | 0.78 | — | — | |
| SCHEMBL11291232 | 0.74 | — | — | |
| SCHEMBL28446190 | 0.74 | — | — | |
| SCHEMBL29284707 | 0.74 | — | — | |
| SCHEMBL6251063 | 0.72 | — | — | |
| Cyclopentane SCHEMBL2594140 | 0.67 | — | — | |
| Benzene SCHEMBL22041936 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7652697 | 0.67 | — | — | |
| Cyclopropane SCHEMBL2592280 | 0.67 | — | — |
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-5101218-A | Water insoluble cationic polymers as ink receivers | CANON KABUSHIKI KAISHA (JP) | 1992-03-31 | — | — | US | disclosed |
| US-4877680-A | WATER-INSOLUBLE POLYMER COMPLEX FROM ACIDIC AND BASIC POLYMERS; CATIONIC RESIN | CANON KABUSHIKI KAISHA (JP) | 1989-10-31 | — | — | US | disclosed |