⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3693617 | 1.00 | — | — | |
| SCHEMBL263323 | 0.72 | — | — | |
| SCHEMBL1578643 | 0.72 | — | — | |
| SCHEMBL26535 | 0.72 | — | — | |
| SCHEMBL4581876 | 0.69 | — | — | |
| SCHEMBL2889398 | 0.67 | — | — | |
| SCHEMBL713956 | 0.67 | — | — | |
| SCHEMBL6801405 | 0.67 | — | — | |
| SCHEMBL3239719 | 0.67 | — | — | |
| SCHEMBL20678298 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3204846-A | — | — | None | — | — | JP | disclosed |
| JP-H03204846-A | CARBOXAMIDO (METH) ACRYLIC ACID ESTER | BAYER AG | 1991-09-06 | — | — | JP | disclosed |
| US-4149000-A | ANTAGONISTS OF NARCOTIC ANALGESICS | STERLING DRUG INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4009171-A | ANTAGONISTS OF NARCOTIC ANALGESICS | STERLING DRUG INC. (US) | 1977-02-22 | — | — | US | disclosed |