⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1325706 | 0.94 | — | — | |
| Butane SCHEMBL8965444 | 0.84 | — | — | |
| Butane SCHEMBL11884272 | 0.82 | — | — | |
| Butane SCHEMBL2858309 | 0.82 | — | — | |
| Butane SCHEMBL22491 | 0.82 | — | — | |
| Butane SCHEMBL5859491 | 0.82 | TSHR (0.44) | — | |
| Butane SCHEMBL30942544 | 0.82 | — | — | |
| Butane SCHEMBL421381 | 0.82 | — | — | |
| Butane SCHEMBL10708410 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL917369 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0358536-A2 | Novel S-adenosyl methionine decarboxylase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1990-03-14 | — | — | EP | disclosed |