⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9421394 | 0.98 | — | — | |
| SCHEMBL10887043 | 0.91 | TSHR (0.32) | — | |
| Urea SCHEMBL886861 | 0.85 | ALDH1A1 (0.30) | — | |
| Acrylamide SCHEMBL9196186 | 0.84 | ALDH1A1 (0.44) | — | |
| SCHEMBL2227195 | 0.83 | — | — | |
| Carbamic Acid SCHEMBL27869277 | 0.83 | ACHE (0.33) | — | |
| Acetamide SCHEMBL10980986 | 0.81 | LMNA (0.36) | — | |
| Fumaric Acid SCHEMBL10537007 | 0.79 | TSHR (0.39) | — | |
| Fumaric Acid SCHEMBL7709603 | 0.79 | TSHR (0.39) | — | |
| Maleic Acid SCHEMBL10536991 | 0.79 | TSHR (0.39) | — |
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-5496871-A | CONTAINING HYDROPHILIC MONOMER; CONTACT LENSES, BIOCOMPATIBLE DEVICES | BAUSCH & LOMB INCORPORATED (US) | 1996-03-05 | — | — | US | disclosed |
| US-5420324-A | Contact lenses | BAUSCH & LOMB INCORPORATED (US) | 1995-05-30 | — | — | US | disclosed |
| US-5374662-A | Contact lenses having excellent wetting; nonhydrolyzing; prosthetics; medical equipment; biocompatibility | BAUSCH & LOMB INCORPORATED (US) | 1994-12-20 | — | — | US | disclosed |
| WO-1994021698-A1 | NOVEL FUMARATE AND FUMARAMIDE SILOXANE HYDROGEL COMPOSITIONS | BAUSCH & LOMB INCORPORATED (US) | 1994-09-29 | — | — | WO | disclosed |