⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18636888 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL19058816 | 1.00 | — | — | |
| SCHEMBL882628 | 1.00 | TSHR (0.33) | — | |
| SCHEMBL10343755 | 1.00 | — | — | |
| SCHEMBL2056417 | 0.96 | — | — | |
| SCHEMBL2759957 | 0.84 | — | — | |
| SCHEMBL53228 | 0.78 | — | — | |
| SCHEMBL8147317 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL31090 | 0.78 | — | — | |
| SCHEMBL8431581 | 0.78 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141582-B1 | SYNTHESIS AND USE OF POLYALKYLAMINES | KARLSRUHER INST TECHNOLOGIE (DE) | 2018-06-13 | — | — | EP | disclosed |
| US-7582122-B2 | Mixed cationic dyes comprising at least one anthraquinone chromophore and their use in methods of hair dyeing | L'OREAL S.A. (FR) | 2009-09-01 | — | — | US | disclosed |
| WO-2009095547-A2 | METHOD FOR PREPARING A ZEOLITE OF THE ITH STRUCTURAL TYPE | IFP (FR) | 2009-08-06 | — | — | WO | disclosed |