⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4444523 | 0.77 | NOS3 (0.30) | — | |
| SCHEMBL6904101 | 0.69 | — | — | |
| SCHEMBL6909794 | 0.67 | — | — | |
| SCHEMBL18499661 | 0.65 | — | — | |
| SCHEMBL6910183 | 0.64 | — | — | |
| SCHEMBL9553050 | 0.63 | — | — | |
| SCHEMBL8375175 | 0.61 | — | — | |
| SCHEMBL5864283 | 0.61 | — | — | |
| SCHEMBL10879683 | 0.61 | — | — | |
| SCHEMBL6904650 | 0.60 | HTR2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2214895-B1 | MOLDS FOR PRODUCTION OF OPHTHALMIC DEVICES | BAUSCH & LOMB (US) | 2012-11-14 | — | — | EP | claimed |
| EP-1066337-B1 | OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS | CHEVRON PHILLIPS CHEMICAL CO (US) | 2004-11-03 | — | — | EP | claimed |