⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179830 | 0.79 | — | — | |
| SCHEMBL7051758 | 0.79 | — | — | |
| SCHEMBL6313166 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29092169 | 0.77 | APEX1 (0.32) | — | |
| SCHEMBL5828176 | 0.73 | — | — | |
| SCHEMBL6664475 | 0.73 | — | — | |
| SCHEMBL20747223 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28429570 | 0.73 | LMNA (0.37) | — | |
| SCHEMBL9249146 | 0.71 | — | — | |
| SCHEMBL11683696 | 0.71 | CA1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4265656-A | HALOETHYL SULFONE AND (2-CHLOROETHYL)TRIMETHYLAMMONIUM HALIDE, TETRAFLUOROBORATE OR ALKYL SULFATE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-05 | — | — | US | claimed |
| US-4265656-A | HALOETHYL SULFONE AND (2-CHLOROETHYL)TRIMETHYLAMMONIUM HALIDE, TETRAFLUOROBORATE OR ALKYL SULFATE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-05 | — | — | US | disclosed |
| US-4227918-A | Novel halogenoethyl sulphones and their use as plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1980-10-14 | — | — | US | disclosed |
| EP-0009696-A2 | Plant growth regulating agent based on a mixture of a halogenethyl-sulfone and a 2-chlorethyl-trimethylammonium compound or an ammonium compound or a sulfonium compound; use of this agent and method for its preparation | BAYER AG (DE) | 1980-04-16 | — | — | EP | disclosed |
| US-4057418-A | Sulfonylmethylamino-substituted benzoic acids and herbicidal method therewith | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-08 | — | — | US | disclosed |