⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL287187 | 0.98 | — | — | |
| SCHEMBL27894842 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL10614767 | 0.95 | — | — | |
| SCHEMBL27894388 | 0.95 | — | — | |
| Formaldehyde SCHEMBL27828588 | 0.93 | CES1 (0.44) | — | |
| Pyrimidine SCHEMBL29105565 | 0.86 | CES1 (0.43) | — | |
| Glycine SCHEMBL1987508 | 0.86 | CES1 (0.43) | — | |
| SCHEMBL28542223 | 0.86 | FAAH (0.50) | — | |
| Trifluoroacetic Acid SCHEMBL8358514 | 0.86 | CES1 (0.40) | — | |
| Fluorobenzene SCHEMBL28328929 | 0.82 | CES1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230174523-A1 | BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF | AMATHUS THERAPEUTICS, INC. (US) | 2023-06-08 | — | — | US | disclosed |
| EP-4121029-A1 | BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF | Amathus Therapeutics, Inc. (US) | 2023-01-25 | — | — | EP | disclosed |
| WO-2021188880-A1 | BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF | AMATHUS THERAPEUTICS, INC. (US) | 2021-09-23 | — | — | WO | disclosed |