⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35914 | 0.81 | — | — | |
| SCHEMBL28435119 | 0.79 | — | — | |
| SCHEMBL27040444 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL11829410 | 0.79 | — | — | |
| SCHEMBL93462 | 0.73 | TSHR (0.84) | — | |
| SCHEMBL30604742 | 0.73 | TSHR (0.84) | — | |
| SCHEMBL268400 | 0.73 | TSHR (0.59) | — | |
| SCHEMBL27768879 | 0.72 | — | — | |
| SCHEMBL900042 | 0.70 | TSHR (0.80) | — | |
| SCHEMBL3129205 | 0.70 | — | — |
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-2008113460-A1 | PRODUCTION OF COPOLYMERS COMPRISING SULFO GROUPS | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |