⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4811550 | 0.67 | — | — | |
| SCHEMBL31955606 | 0.67 | MAPT (0.44) | — | |
| SCHEMBL1374641 | 0.67 | — | — | |
| SCHEMBL215853 | 0.67 | — | — | |
| SCHEMBL124901 | 0.67 | — | — | |
| SCHEMBL678750 | 0.67 | — | — | |
| SCHEMBL355337 | 0.67 | — | — | |
| SCHEMBL675775 | 0.65 | — | — | |
| SCHEMBL2600398 | 0.65 | — | — | |
| SCHEMBL11112481 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992018564-A2 | METHOD FOR MANUFACTURING 3-AMINO-2-CYCLOHEXENE-1-ONE, AND A NOVEL POLYMER INGREDIENT AND ITS PREPARATION | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-29 | — | — | WO | disclosed |