⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6885477 | 0.75 | FDPS (0.32) | — | |
| SCHEMBL7346608 | 0.73 | — | — | |
| SCHEMBL6747100 | 0.71 | — | — | |
| SCHEMBL6649357 | 0.71 | — | — | |
| SCHEMBL3784124 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL10812688 | 0.67 | FDPS (0.32) | — | |
| SCHEMBL9244557 | 0.66 | EPHX1 (0.41) | — | |
| SCHEMBL27499290 | 0.66 | EPHX1 (0.41) | — | |
| SCHEMBL28988992 | 0.66 | EPHX1 (0.41) | — | |
| SCHEMBL5563834 | 0.65 | ADH1B (0.43) | — |
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-6302923-B1 | PRINTING OR DYEING TEXTILES WITH TRIAZINE DYES,TRIPHENODIOXAZINE DYES, INK JET INKS FOR PAPER | CLARIANT FINANCE (BVI) LIMITED (VG) | 2001-10-16 | — | — | US | disclosed |