⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14650719 | 0.91 | CA12 (0.32) | — | |
| SCHEMBL14650686 | 0.88 | TERT (0.31) | — | |
| SCHEMBL14650565 | 0.87 | — | — | |
| SCHEMBL14650639 | 0.86 | MMP9 (0.34) | — | |
| SCHEMBL14650644 | 0.84 | TOP2A (0.34) | — | |
| SCHEMBL14650718 | 0.80 | CA12 (0.35) | — | |
| SCHEMBL14650693 | 0.80 | CA12 (0.32) | — | |
| SCHEMBL14650683 | 0.79 | STAT3 (0.37) | — | |
| SCHEMBL14650541 | 0.78 | CA12 (0.31) | — | |
| SCHEMBL14650709 | 0.77 | CA12 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9051468-B2 | Dyes for polymer coloration, their preparation and their use | CLARIANT INTERNATIONAL LTD (CH) | 2015-06-09 | — | — | US | disclosed |
| US-9051468-B2 | Dyes for polymer coloration, their preparation and their use | CLARIANT INTERNATIONAL LTD (CH) | 2015-06-09 | — | — | US | disclosed |
| US-20130019415-A1 | DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE | DYSTAR COLOURS DEUTSCHLAND GMBH (DE) | 2013-01-24 | — | — | US | disclosed |