⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6408843 | 0.91 | MAOA (0.48) | — | |
| SCHEMBL6406509 | 0.80 | CA12 (0.43) | — | |
| SCHEMBL6408840 | 0.78 | MAOA (0.35) | — | |
| Acrylamide SCHEMBL81627 | 0.76 | ALDH1A1 (0.55) | — | |
| Acrylamide SCHEMBL27989513 | 0.76 | ALDH1A1 (0.55) | — | |
| Acrylic Acid SCHEMBL29838100 | 0.76 | CA12 (0.50) | — | |
| Acrylamide SCHEMBL6037032 | 0.76 | ALDH1A1 (0.55) | — | |
| SCHEMBL3726901 | 0.76 | ABCC4 (0.39) | — | |
| SCHEMBL27794294 | 0.75 | — | — | |
| Trientine SCHEMBL3247131 | 0.74 | CA12 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050075416-A1 | Process for preparing microencapsulated pigment, microencapsulated pigment, aqueous dispersion, and ink for ink jet recording | SEIKO EPSON CORPORATION | 2005-04-07 | — | — | US | disclosed |