⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29322718 | 1.00 | MAPK1 (0.40) | — | |
| SCHEMBL10961176 | 0.98 | CYP2D6 (0.41) | — | |
| SCHEMBL10245400 | 0.93 | HRH3 (0.44) | — | |
| SCHEMBL10926779 | 0.91 | HRH1 (0.41) | — | |
| SCHEMBL24792370 | 0.91 | HRH3 (0.43) | — | |
| SCHEMBL1161076 | 0.91 | HRH3 (0.48) | — | |
| SCHEMBL4893159 | 0.90 | CYP2D6 (0.41) | — | |
| SCHEMBL14451172 | 0.90 | CYP2D6 (0.41) | — | |
| SCHEMBL11572427 | 0.90 | — | — | |
| SCHEMBL20333607 | 0.89 | HRH3 (0.41) | — |
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-4173580-A | Production of β-haloalkylaminosulfonyl halides | BASF AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |
| US-4014931-A | FROM AZIRIDINE AND SULFURYL HALIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-29 | — | — | US | disclosed |