⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL2051538 | 0.76 | CA2 (0.33) | — | |
| Acetic Acid SCHEMBL5165961 | 0.74 | FFAR3 (0.41) | — | |
| Ethane SCHEMBL23013321 | 0.73 | CES2 (0.33) | — | |
| Methyl Alcohol SCHEMBL7718124 | 0.73 | CA2 (0.32) | — | |
| Chloromethane SCHEMBL28080031 | 0.73 | CA2 (0.32) | — | |
| Bicarbonate SCHEMBL27594838 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL4641581 | 0.73 | — | — | |
| SCHEMBL20992047 | 0.73 | — | — | |
| SCHEMBL52 | 0.73 | CA2 (0.35) | — | |
| SCHEMBL27623481 | 0.73 | CA2 (0.35) | — |
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-0495603-B1 | Hydrogel material | PILKINGTON BARNES HIND INC (US) | 1998-10-14 | — | — | EP | claimed |
| US-5362768-A | Polymers for contact lenses | PILKINGTON VISIONCARE, INC. (US) | 1994-11-08 | — | — | US | claimed |
| EP-0495603-B1 | Hydrogel material | PILKINGTON BARNES HIND INC (US) | 1998-10-14 | — | — | EP | disclosed |