⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8719071 | 0.99 | CA1 (0.30) | — | |
| SCHEMBL8717271 | 0.90 | LMNA (0.32) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5691973 | 0.85 | GPR3 (0.39) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8715402 | 0.84 | GPR3 (0.38) | — | |
| SCHEMBL356010 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL6708360 | 0.82 | CA2 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL5690034 | 0.74 | GPR3 (0.42) | — | |
| SCHEMBL5690740 | 0.72 | CA2 (0.35) | — | |
| SCHEMBL6757022 | 0.69 | KIF11 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL115549 | 0.67 | GPR3 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647638-B1 | (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD | DAIKIN IND LTD (JP) | 1998-10-07 | — | — | EP | disclosed |
| US-5569771-A | (Haloalkyl) dibenzooniumsulfonate and its production methods; and a haloalkylating agent and haloalkylating methods | DAIKIN INDUSTRIES LTD. (JP) | 1996-10-29 | — | — | US | disclosed |
| EP-0647638-A1 | (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD | DAIKIN INDUSTRIES, LIMITED (JP) | 1995-04-12 | — | — | EP | disclosed |