⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24933751 | 0.77 | CHRM2 (0.31) | — | |
| SCHEMBL1077568 | 0.73 | CHRM2 (0.38) | — | |
| SCHEMBL1077565 | 0.73 | CHRM2 (0.38) | — | |
| SCHEMBL1077566 | 0.73 | CHRM2 (0.38) | — | |
| SCHEMBL15578861 | 0.73 | CHRM2 (0.38) | — | |
| SCHEMBL24933685 | 0.71 | — | — | |
| SCHEMBL1565241 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL1411899 | 0.68 | TSHR (0.38) | — | |
| SCHEMBL1639564 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL13431389 | 0.67 | USP2 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5635588-A | Polymerisation of glycerol using a zeolite catalyst | UNICHEMA CHEMIE B.V. (NL) | 1997-06-03 | — | — | US | disclosed |
| EP-0683800-B1 | POLYMERIZATION OF GLYCEROL USING A ZEOLITE CATALYST | UNICHEMA CHEMIE BV (NL) | 1997-01-02 | — | — | EP | disclosed |
| EP-0683800-A1 | POLYMERIZATION OF GLYCEROL USING A ZEOLITE CATALYST. | UNICHEMA CHEMIE BV (NL) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994018259-A1 | POLYMERIZATION OF GLYCEROL USING A ZEOLITE CATALYST | UNICHEMA CHEMIE B.V. (NL) | 1994-08-18 | — | — | WO | disclosed |