⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053672 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL7051345 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL8038482 | 0.81 | MMP8 (0.38) | — | |
| SCHEMBL28441938 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL6451225 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL7105297 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL5666057 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL23913868 | 0.67 | — | — | |
| SCHEMBL11319446 | 0.67 | — | — | |
| SCHEMBL308456 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1189755-A1 | INKJET PRINTING MEDIA CONTAINING SUBSTANTIALLY WATER-INSOLUBLE PLASTICIZER | Hewlett-Packard Company, A Delaware Corporation (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000071359-A1 | INKJET PRINTING MEDIA CONTAINING SUBSTANTIALLY WATER-INSOLUBLE PLASTICIZER | HEWLETT-PACKARD COMPANY (US) | 2000-11-30 | — | — | WO | disclosed |