⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11044226 | 0.73 | — | — | |
| SCHEMBL29281365 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL28084844 | 0.69 | — | — | |
| SCHEMBL24215336 | 0.69 | — | — | |
| SCHEMBL18019919 | 0.67 | — | — | |
| SCHEMBL7158083 | 0.65 | — | — | |
| Acrylic Acid SCHEMBL27727311 | 0.65 | LMNA (0.56) | — | |
| Chloroprene SCHEMBL4623811 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL578549 | 0.63 | — | — | |
| Propene SCHEMBL23404097 | 0.63 | — | — |
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-4328241-A | ANTHELMINTICS | E. R. SQUIBB & SONS, INC. (US) | 1982-05-04 | — | — | US | disclosed |