⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15197917 | 0.88 | — | — | |
| SCHEMBL22062137 | 0.82 | — | — | |
| SCHEMBL19175974 | 0.80 | — | — | |
| SCHEMBL20031101 | 0.77 | — | — | |
| SCHEMBL18714897 | 0.77 | — | — | |
| SCHEMBL19441057 | 0.77 | — | — | |
| SCHEMBL19916171 | 0.75 | — | — | |
| SCHEMBL23114457 | 0.74 | — | — | |
| SCHEMBL23659110 | 0.72 | — | — | |
| SCHEMBL18714893 | 0.70 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11370921-B2 | Reactive dye compound and preparation method and application thereof | Shanghai Kehua dyestuff Industry Co., Ltd. (CN) | 2022-06-28 | — | — | US | disclosed |
| US-10954392-B2 | Reactive navy to black dye composition and dye product thereof | ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) | 2021-03-23 | — | — | US | disclosed |
| US-20200283634-A1 | A REACTIVE NAVY TO BLACK DYE COMPOSITION AND DYE PRODUCT THEREOF | Shanghai Kehua dyestuff Industry Co., Ltd. (CN) | 2020-09-10 | — | — | US | disclosed |
| US-20200231819-A1 | A REACTIVE DYE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF | ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) | 2020-07-23 | — | — | US | disclosed |