⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL246513 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL27916398 | 0.75 | — | — | |
| SCHEMBL10136491 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL1335263 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL6407706 | 0.71 | — | — | |
| SCHEMBL17103151 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL14991919 | 0.71 | — | — | |
| Methylamine SCHEMBL15442036 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL7533898 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL8201768 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017069270-A1 | NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND | 大正製薬株式会社 | 2017-04-27 | — | — | WO | disclosed |