⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21836736 | 0.74 | — | — | |
| SCHEMBL28052634 | 0.74 | BACE1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL21836737 | 0.72 | — | — | |
| SCHEMBL21797756 | 0.72 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1072326 | 0.71 | BACE1 (0.31) | — | |
| SCHEMBL21142144 | 0.69 | — | — | |
| SCHEMBL21406905 | 0.69 | — | — | |
| SCHEMBL20496028 | 0.69 | — | — | |
| SCHEMBL20496049 | 0.69 | — | — | |
| SCHEMBL19457755 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3124514-B1 | OLEFIN-BASED RESIN, METHOD FOR PRODUCING SAME AND PROPYLENE-BASED RESIN COMPOSITION | MITSUI CHEMICALS INC (JP) | 2019-07-10 | — | — | EP | disclosed |