⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3864537 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL3864539 | 0.84 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4207271 | 0.82 | ALDH1A1 (0.39) | — | |
| Water SCHEMBL30525491 | 0.82 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL306250 | 0.82 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1487320 | 0.82 | ALDH1A1 (0.39) | — | |
| Water SCHEMBL31024411 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL5353415 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL5353443 | 0.74 | RIPK1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL10782216 | 0.67 | ALDH1A1 (0.39) | — |
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-7216969-B2 | Image recording method | CANON FINETECH INC. (JP) | 2007-05-15 | — | — | US | disclosed |
| US-20050212885-A1 | Image recording method | CANON FINETECH INC (JP) | 2005-09-29 | — | — | US | disclosed |