⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6770694 | 1.00 | — | — | |
| SCHEMBL6767682 | 0.91 | — | — | |
| SCHEMBL6770518 | 0.91 | — | — | |
| SCHEMBL6771350 | 0.91 | — | — | |
| SCHEMBL6771154 | 0.88 | — | — | |
| SCHEMBL6771504 | 0.88 | — | — | |
| SCHEMBL6771392 | 0.87 | — | — | |
| SCHEMBL6767509 | 0.86 | — | — | |
| SCHEMBL6771708 | 0.86 | NPC1 (0.30) | — | |
| SCHEMBL6772242 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6706663-B2 | CHEMICAL INTERMEDIATES | WYETH | 2004-03-16 | — | — | US | claimed |
| US-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) | 2002-03-07 | — | — | US | claimed |
| US-6706663-B2 | CHEMICAL INTERMEDIATES | WYETH | 2004-03-16 | — | — | US | disclosed |
| US-20020028748-A1 | Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds | INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) | 2002-03-07 | — | — | US | disclosed |