⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL514929 | 0.79 | TLR8 (0.46) | — | |
| SCHEMBL2586175 | 0.78 | — | — | |
| SCHEMBL17099912 | 0.78 | KCNH3 (0.34) | — | |
| SCHEMBL11584517 | 0.78 | — | — | |
| SCHEMBL5056616 | 0.78 | NUDT1 (0.30) | — | |
| SCHEMBL28859627 | 0.77 | DNM2 (0.47) | — | |
| SCHEMBL3689385 | 0.77 | DNM2 (0.47) | — | |
| SCHEMBL27736222 | 0.75 | GOT1 (0.32) | — | |
| SCHEMBL4099219 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL10624075 | 0.75 | — | — |
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-7094353-B2 | Method of water treatment | ARCH CHEMICALS, INC. (US) | 2006-08-22 | — | — | US | claimed |
| CN-113423269-A | Hydrogen peroxide disinfectant compositions | 龙沙有限责任公司 | 2021-09-21 | — | — | CN | disclosed |
| EP-1077900-A1 | BALANCED WATER PURIFICATION COMPOSITION | Advanced Water Technology, Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059924-A1 | BALANCED WATER PURIFICATION COMPOSITION | ADVANCED WATER TECHNOLOGY, INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| CN-1109879-A | 2-arylpyrimidines and herbicidal use thereof | ROHM & HAAS (US) | 1995-10-11 | — | — | CN | disclosed |