⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9413368 | 0.84 | NOTUM (0.36) | — | |
| SCHEMBL27801879 | 0.80 | APEX1 (0.30) | — | |
| SCHEMBL328793 | 0.78 | — | — | |
| SCHEMBL29164446 | 0.74 | CA2 (0.33) | — | |
| SCHEMBL9373543 | 0.74 | — | — | |
| SCHEMBL4453847 | 0.74 | — | — | |
| SCHEMBL9067502 | 0.74 | — | — | |
| SCHEMBL4601559 | 0.74 | — | — | |
| SCHEMBL5073200 | 0.74 | — | — | |
| SCHEMBL358557 | 0.72 | CYP2A6 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4141912-A | Process for the preparation of polyhalobenzylic disulfooxonium compounds | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1979-02-27 | — | — | US | disclosed |
| US-4075238-A | Polyhalobenzylic disulfooxonium compounds | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |