⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL954060 | 0.84 | — | — | |
| SCHEMBL321362 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL1180934 | 0.78 | THRB (0.36) | — | |
| SCHEMBL30474922 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL30120677 | 0.76 | THRB (0.34) | — | |
| SCHEMBL10036814 | 0.76 | — | — | |
| SCHEMBL29733520 | 0.75 | — | — | |
| SCHEMBL8854852 | 0.75 | THRB (0.43) | — | |
| SCHEMBL9418233 | 0.75 | — | — | |
| SCHEMBL10277005 | 0.74 | ALDH1A1 (0.32) | — |
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-0501424-A1 | Transparent thermoplastic moulding composition, process for its preparation and its use | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-09-02 | — | — | EP | claimed |