⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL2956203 | 0.75 | GPR3 (0.33) | — | |
| Perchlorobenzene SCHEMBL8872243 | 0.62 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL26562 | 0.62 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL1330781 | 0.62 | ALDH1A1 (0.50) | — | |
| Perchlorobenzene SCHEMBL11319188 | 0.57 | ALDH1A1 (0.46) | — | |
| SCHEMBL11264304 | 0.54 | — | — | |
| SCHEMBL1756530 | 0.53 | CES2 (0.38) | — | |
| SCHEMBL1756500 | 0.53 | CES2 (0.38) | — | |
| SCHEMBL4087408 | 0.50 | MEN1 (0.31) | — | |
| SCHEMBL1756525 | 0.50 | CES2 (0.43) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8231523-A | — | — | None | — | — | JP | disclosed |
| JP-2231474-A | — | — | None | — | — | JP | disclosed |
| JP-2231474-A | — | — | None | — | — | JP | disclosed |
| US-20230272272-A1 | Surface Treatment Of Quantum Dots | UNITED STATES DEPARTMENT OF ENERGY | 2023-08-31 | — | — | US | disclosed |
| US-6174628-B1 | ELECTROLYTE HAS HIGH POLARITY, HIGH RESISTANCE TO OXIDATION AND FLAME RETARDANCE, AND THUS POSSESSES EXCELLENT CHARACTERISTICS AS THE ELECTROLYTE FOR ELECTRIC ENERGY GENERATORS | DAIKIN INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0948073-A1 | ELECTROLYTIC SOLUTION AND DEVICE FOR GENERATING ELECTRIC ENERGY THEREWITH | Daikin Industries, Ltd. (JP) | 1999-10-06 | — | — | EP | disclosed |
| JP-H08231523-A | FLUOROCYCLIC ETHER COMPOUND AND ITS PRODUCTION | CHICHIBU ONODA CEMENT CORP | 1996-09-10 | — | — | JP | disclosed |
| JP-H02231474-A | PRODUCTION OF N-FLUORO-2,3,4,5,6-PENTACHLORO-PYRIDINIUM SALT | SAGAMI CHEM RES CENTER | 1990-09-13 | — | — | JP | disclosed |
| JP-H02231474-A | PRODUCTION OF N-FLUORO-2,3,4,5,6-PENTACHLORO-PYRIDINIUM SALT | SAGAMI CHEM RES CENTER | 1990-09-13 | — | — | JP | disclosed |