⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29112582 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL27458705 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL27539584 | 0.75 | SLC1A3 (0.32) | — | |
| SCHEMBL28009986 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL27913441 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL29112562 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL1282706 | 0.69 | TP53 (0.35) | — | |
| SCHEMBL1282705 | 0.69 | TP53 (0.35) | — | |
| Tetradecane SCHEMBL27774111 | 0.68 | GRIK1 (0.40) | — | |
| SCHEMBL27466001 | 0.67 | ALDH1A1 (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102906239-B | White dyes and containing its composition | MILLIKEN & CO. (US) | 2015-09-09 | — | — | CN | disclosed |
| CN-102906200-B | Optical brighteners and compositions comprising the same | MILLIKEN & CO | 2015-01-07 | — | — | CN | disclosed |
| CN-102918120-B | Coloured particles with delayed release properties | MILLIKEN & CO | 2014-08-13 | — | — | CN | disclosed |
| CN-102918120-A | Coloured particles with delayed release properties | MILLIKEN & CO | 2013-02-06 | — | — | CN | disclosed |
| CN-102918119-A | Colored granules for use in granular detergents | MILLIKEN & CO | 2013-02-06 | — | — | CN | disclosed |
| CN-102906239-A | Optical brighteners and compositions comprising the same | MILLIKEN & CO | 2013-01-30 | — | — | CN | disclosed |
| CN-102906200-A | Optical brighteners and compositions comprising the same | MILLIKEN & CO | 2013-01-30 | — | — | CN | disclosed |
| CN-101600760-B | Whitening agent for cellulose substrates | MILLIKEN & CO US | 2012-08-29 | — | — | CN | disclosed |
| CN-101600760-A | Novel whitening agents for cellulosic substrates | MILLIKEN & CO (US) | 2009-12-09 | — | — | CN | disclosed |