⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6129760 | 1.00 | — | — | |
| SCHEMBL526285 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL125890 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL20240909 | 0.77 | EPHX1 (0.37) | — | |
| SCHEMBL4654095 | 0.77 | KDM4C (0.44) | — | |
| SCHEMBL2419833 | 0.77 | KDM4C (0.44) | — | |
| Methacrylic Acid SCHEMBL17766335 | 0.74 | EPHX1 (0.31) | — | |
| SCHEMBL5362649 | 0.69 | KDM4C (0.41) | — | |
| SCHEMBL9447850 | 0.69 | KMT2A (0.37) | — | |
| SCHEMBL6685906 | 0.69 | KMT2A (0.37) | — |
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-1286823-A4 | OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME | OCULAR SCIENCES INC (US) | 2005-01-12 | — | — | EP | disclosed |
| EP-1286823-A1 | OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME | Ocular Sciences Inc. (US) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001078971-A1 | OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME | OCULAR SCIENCES, INC. (US) | 2001-10-25 | — | — | WO | disclosed |