⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15732730 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL3795992 | 0.84 | TSHR (0.44) | — | |
| SCHEMBL5408007 | 0.78 | — | — | |
| SCHEMBL27987364 | 0.78 | — | — | |
| SCHEMBL18395775 | 0.76 | LDHA (0.35) | — | |
| SCHEMBL5227698 | 0.75 | MGAM (0.46) | — | |
| SCHEMBL18395977 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL18894521 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL15194985 | 0.74 | — | — | |
| SCHEMBL643456 | 0.74 | — | — |
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-6617393-B2 | Water-dilutable resin and a water-miscible hydroxy urethane with an increased mass fraction of solids, active at elevated temperature to give automobile primer-surfacer materials | SOLUTIA AUSTRIA GMBH (AU) | 2003-09-09 | — | — | US | disclosed |
| US-6444721-B2 | WATER DISPERSION; PROTECTIVE COATINGS | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-03 | — | — | US | disclosed |
| US-20020077389-A1 | Aqueous binder mixture | SURFACE SPECIALITIES AUSTRIA GMBH (AT) | 2002-06-20 | — | — | US | disclosed |
| US-20010029272-A1 | Weathering-stable, radiation-curable polyurethanes | BASF AKIENGESELLSCHAFT (DE) | 2001-10-11 | — | — | US | disclosed |