⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7927754 | 0.60 | — | — | |
| Propylene Oxide SCHEMBL9859778 | 0.58 | — | — | |
| SCHEMBL10074744 | 0.58 | — | — | |
| Propylene Oxide SCHEMBL9489329 | 0.56 | CHRM2 (0.44) | — | |
| Propylene Oxide SCHEMBL3617909 | 0.56 | — | — | |
| SCHEMBL1067947 | 0.56 | ALDH1A1 (0.46) | — | |
| SCHEMBL12228066 | 0.56 | — | — | |
| SCHEMBL64078 | 0.56 | — | — | |
| SCHEMBL63327 | 0.56 | — | — | |
| SCHEMBL50501 | 0.56 | — | — |
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-1524289-B1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-09-16 | — | — | EP | disclosed |
| WO-2001070722-A2 | POLYFUNCTIONAL THIIRANE COMPOUNDS | PPG INDUSTRIES OHIO, INC. (US) | 2001-09-27 | — | — | WO | disclosed |