⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11244374 | 0.69 | — | — | |
| SCHEMBL11435489 | 0.69 | — | — | |
| SCHEMBL747985 | 0.67 | — | — | |
| SCHEMBL7875901 | 0.65 | — | — | |
| SCHEMBL501721 | 0.63 | — | — | |
| Butadiene SCHEMBL28294657 | 0.63 | — | — | |
| Propene SCHEMBL27689797 | 0.63 | — | — | |
| SCHEMBL8040814 | 0.63 | — | — | |
| SCHEMBL8029141 | 0.63 | — | — | |
| SCHEMBL8928335 | 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 |