⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4329729 | 0.75 | — | — | |
| Bromide SCHEMBL8160255 | 0.75 | — | — | |
| SCHEMBL7191914 | 0.72 | — | — | |
| SCHEMBL7201924 | 0.69 | — | — | |
| SCHEMBL27510575 | 0.64 | RECQL (0.30) | — | |
| SCHEMBL4467634 | 0.62 | — | — | |
| SCHEMBL7187046 | 0.59 | BRD4 (0.32) | — | |
| SCHEMBL3823029 | 0.59 | GABRA1 (0.46) | — | |
| SCHEMBL17386634 | 0.59 | ANPEP (0.32) | — | |
| SCHEMBL5346906 | 0.58 | ANPEP (0.31) | — |
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-0892014-A1 | Olefin thermoplastic elastomer composition | Mitsui Chemicals, Inc. (JP) | 1999-01-20 | — | — | EP | disclosed |