⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761345 | 0.84 | — | — | |
| SCHEMBL18195576 | 0.76 | — | — | |
| SCHEMBL20411932 | 0.73 | — | — | |
| SCHEMBL20411912 | 0.73 | — | — | |
| SCHEMBL26325876 | 0.73 | — | — | |
| SCHEMBL10717160 | 0.71 | — | — | |
| SCHEMBL10045675 | 0.66 | — | — | |
| SCHEMBL25926353 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL3088956 | 0.65 | — | — | |
| SCHEMBL20411944 | 0.65 | — | — |
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-8114813-B2 | Heat transferrable dye in resin containing polyvinyl acetal modified with ketone | FUJIFILM CORPORATION (JP) | 2012-02-14 | — | — | US | disclosed |
| US-20080242540-A1 | THERMAL TRANSFER INK SHEET, INK CARTRIDGE, COATING COMPOSITION FOR DYE LAYER OF THERMAL TRANSFER INK SHEET, AND THERMAL TRANSFER RECORDING METHOD | FUJIFILM CORPORATION (JP) | 2008-10-02 | — | — | US | disclosed |