⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL775315 | 0.97 | LMNA (0.31) | — | |
| SCHEMBL10773788 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL25761712 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL10631960 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL7952540 | 0.78 | — | — | |
| SCHEMBL11070154 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL10630269 | 0.77 | OPRM1 (0.42) | — | |
| SCHEMBL776181 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL7963776 | 0.75 | — | — | |
| SCHEMBL10776347 | 0.75 | LMNA (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0765891-B1 | Process for the preparation of water-blown integral skin polyurethane foams and catalysts useful therein | BAYER AG (US) | 2000-08-09 | — | — | EP | disclosed |
| EP-0765891-A1 | Water-blown integral skin polyurethane foams and catalysts useful therein | Bayer Corporation (US) | 1997-04-02 | — | — | EP | disclosed |
| US-5514723-A | POLYMERIZATION USING CATALYST MIXTURE OF DIORGANOTIN SULFIDE, TERTIARY AMINE, AND TIN COMPOUND | BAYER CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |