⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13898325 | 0.70 | — | — | |
| SCHEMBL5349547 | 0.59 | — | — | |
| SCHEMBL5398134 | 0.59 | — | — | |
| SCHEMBL2232121 | 0.56 | — | — | |
| SCHEMBL15338060 | 0.56 | — | — | |
| SCHEMBL3781281 | 0.56 | — | — | |
| SCHEMBL5380894 | 0.56 | — | — | |
| SCHEMBL37702 | 0.54 | — | — | |
| SCHEMBL192 | 0.45 | — | — | |
| Butadiene SCHEMBL461643 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180187490-A1 | INITIATOR NANOCONSTITUENTS FOR ELASTOMER CROSSLINKING AND RELATED METHODS AND ARTICLES | BAKER HUGHES HOLDINGS LLC | 2018-07-05 | — | — | US | disclosed |