⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5949386 | 0.75 | — | — | |
| SCHEMBL69189 | 0.75 | — | — | |
| SCHEMBL28151923 | 0.73 | — | — | |
| SCHEMBL607485 | 0.73 | — | — | |
| SCHEMBL1443363 | 0.73 | — | — | |
| Ethane SCHEMBL23783521 | 0.71 | — | — | |
| SCHEMBL922299 | 0.71 | ESR2 (0.35) | — | |
| SCHEMBL3901158 | 0.71 | — | — | |
| SCHEMBL3898434 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL11328020 | 0.71 | — | — |
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-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |