⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7122 | 0.76 | — | — | |
| SCHEMBL28098680 | 0.73 | — | — | |
| SCHEMBL28003153 | 0.73 | — | — | |
| Hexane SCHEMBL28208671 | 0.71 | TSHR (0.41) | — | |
| Pentane SCHEMBL6135812 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL1838650 | 0.70 | — | — | |
| Hydroxyl Radical SCHEMBL28840866 | 0.69 | — | — | |
| SCHEMBL28217480 | 0.69 | — | — | |
| Cyclopentane SCHEMBL28067684 | 0.69 | TSHR (0.41) | — | |
| Ethylamine SCHEMBL27895275 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101454315-B | For synthesizing rhodamine bright-reagent of the oligonucleotide of labelling | 应用生物系统有限责任公司 | 2016-08-17 | — | — | CN | disclosed |