⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18027635 | 0.95 | ODC1 (0.33) | — | |
| SCHEMBL18027634 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL7038590 | 0.82 | — | — | |
| SCHEMBL10580769 | 0.82 | — | — | |
| SCHEMBL986360 | 0.82 | NFKB1 (0.47) | — | |
| SCHEMBL25143348 | 0.82 | — | — | |
| SCHEMBL3107666 | 0.82 | — | — | |
| SCHEMBL9987129 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL23308142 | 0.73 | ODC1 (0.56) | — | |
| Ethylenediamine SCHEMBL9744398 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1292341-A1 | CHEMICALLY CROSSLINKED MATERIAL | KOKEN CO., LTD. (JP) | 2003-03-19 | — | — | EP | claimed |
| WO-2001097874-A1 | CHEMICALLY CROSSLINKED MATERIAL | KOKEN CO., LTD. (JP) | 2001-12-27 | — | — | WO | claimed |
| US-20220143048-A1 | NOVEL PRODRUG SALTS | AEROMICS, INC. | 2022-05-12 | — | — | US | disclosed |
| US-10894055-B2 | Pharmaceutical compositions, methods of making pharmaceutical compositions, and kits comprising 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}4-chlorophenyl dihydrogen phosphate | AEROMICS, INC. (US) | 2021-01-19 | — | — | US | disclosed |
| US-20190307779-A1 | NOVEL FORMULATIONS | AEROMICS, INC. (US) | 2019-10-10 | — | — | US | disclosed |
| US-9827253-B2 | Prodrug salts | AEROMICS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| EP-1292341-A1 | CHEMICALLY CROSSLINKED MATERIAL | KOKEN CO., LTD. (JP) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001097874-A1 | CHEMICALLY CROSSLINKED MATERIAL | KOKEN CO., LTD. (JP) | 2001-12-27 | — | — | WO | disclosed |
| US-4144070-A | SUPERSENSITIZING DYES | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1979-03-13 | — | — | US | disclosed |