⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL4763264 | 0.85 | ALDH1A1 (0.35) | — | |
| Formic Acid SCHEMBL27856187 | 0.85 | — | — | |
| SCHEMBL20298305 | 0.82 | — | — | |
| Vinyl Chloride SCHEMBL28157904 | 0.82 | — | — | |
| Propene SCHEMBL278244 | 0.82 | — | — | |
| Acrylic Acid SCHEMBL28050026 | 0.81 | LMNA (0.50) | — | |
| Ethylene SCHEMBL8927828 | 0.81 | — | — | |
| Ethylene SCHEMBL9799769 | 0.81 | ALDH1A1 (0.41) | — | |
| Ethylene SCHEMBL28553147 | 0.81 | ALDH1A1 (0.41) | — | |
| Ethylene SCHEMBL9799275 | 0.81 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103957887-B | ophthalmic composition comprising prostaglandin F2 α derivative and hyaluronic acid | R·哈德-斯利梅恩 | 2018-02-06 | — | — | CN | disclosed |