⚠ 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 | |
|---|---|---|---|---|
| Sulfamate SCHEMBL29014390 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL9332197 | 0.80 | — | — | |
| SCHEMBL29574510 | 0.79 | CYP1A2 (0.36) | — | |
| SCHEMBL5972431 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL11725261 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL11391858 | 0.77 | — | — | |
| SCHEMBL28595437 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL27570049 | 0.74 | FDPS (0.41) | — | |
| SCHEMBL48411 | 0.73 | CYP1A2 (0.43) | — | |
| SCHEMBL1686176 | 0.73 | CYP1A2 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116023906-A | Application of N, N, N-tri (2-hydroxypropyl) amine cyclic borate as inorganic nonmetallic mineral grinding aid | 南京红宝丽醇胺化学有限公司 | 2023-04-28 | — | — | CN | claimed |
| CN-116023906-A | Application of N, N, N-tri (2-hydroxypropyl) amine cyclic borate as inorganic nonmetallic mineral grinding aid | 南京红宝丽醇胺化学有限公司 | 2023-04-28 | — | — | CN | disclosed |
| EP-1884560-B1 | Method for preparing quaternary ammonium salts | KAO CORP (JP) | 2010-02-10 | — | — | EP | disclosed |
| US-7115779-B2 | Softener composition | KAO CORPORATION (JP) | 2006-10-03 | — | — | US | disclosed |
| US-20050107634-A1 | Softener composition | KAO CORPORATION | 2005-05-19 | — | — | US | disclosed |
| EP-1343838-A2 | STABILIZER SYSTEM FOR STABILIZING POLYMERS THAT CONTAIN HALOGEN | Crompton Vinyl Additives GmbH (DE) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048249-A2 | STABILIZER SYSTEM FOR STABILIZING POLYMERS THAT CONTAIN HALOGEN | CROMPTON VINYL ADDITIVES GMBH (DE) | 2002-06-20 | — | — | WO | disclosed |