⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28261004 | 0.97 | TSHR (0.56) | — | |
| Pyridine SCHEMBL1063058 | 0.86 | — | — | |
| Pyridine SCHEMBL2348132 | 0.86 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL15309118 | 0.86 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL1206485 | 0.86 | — | — | |
| Pyridine SCHEMBL28910607 | 0.86 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL6014218 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL11412722 | 0.83 | TSHR (0.64) | — | |
| Pyridine SCHEMBL1059429 | 0.82 | — | — | |
| Pyridine SCHEMBL9332905 | 0.82 | — | — |
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-104327532-B | Preparation method of bromine ammonia blue | 大连理工大学 | 2016-08-24 | — | — | CN | disclosed |