⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6509368 | 0.86 | ENPEP (0.31) | — | |
| SCHEMBL315209 | 0.79 | — | — | |
| SCHEMBL383092 | 0.78 | — | — | |
| SCHEMBL664450 | 0.77 | — | — | |
| SCHEMBL3698471 | 0.76 | — | — | |
| SCHEMBL5802896 | 0.75 | DNM1 (0.35) | — | |
| SCHEMBL2476973 | 0.75 | — | — | |
| SCHEMBL514875 | 0.75 | — | — | |
| SCHEMBL5855533 | 0.73 | — | — | |
| SCHEMBL20995523 | 0.73 | ROCK2 (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-3717275-A1 | SULFUR-CROSSLINKABLE RUBBER MIXTURE, VULCANIZATE OF THE RUBBER MIXTURE, AND VEHICLE TYRE | Continental Reifen Deutschland GmbH (DE) | 2020-10-07 | — | — | EP | disclosed |