⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1933973 | 0.73 | PTPN1 (0.38) | — | |
| SCHEMBL11408476 | 0.72 | PTPN1 (0.37) | — | |
| SCHEMBL17164578 | 0.68 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL10493524 | 0.68 | ALDH1A1 (0.56) | — | |
| Acrylic Acid Methyl Ester SCHEMBL29212937 | 0.67 | HCAR2 (0.48) | — | |
| Acrylic Acid Methyl Ester SCHEMBL8408215 | 0.67 | HCAR2 (0.48) | — | |
| Acrylic Acid Methyl Ester SCHEMBL6915690 | 0.67 | HCAR2 (0.48) | — | |
| Acrylic Acid Methyl Ester SCHEMBL27729557 | 0.67 | — | — | |
| Cyclohexane SCHEMBL16179835 | 0.67 | HCAR2 (0.48) | — | |
| SCHEMBL11330951 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43480-E1 | Coated optical fiber and curable compositions suitable for coating optical fiber | CORNING INCORPORATED (US) | 2012-06-19 | — | — | US | disclosed |