⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13259139 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL10439424 | 0.86 | MEN1 (0.48) | — | |
| SCHEMBL27741470 | 0.83 | ALDH1A1 (0.60) | — | |
| SCHEMBL22346735 | 0.80 | POLB (0.43) | — | |
| Ethylene Glycol SCHEMBL9492826 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL39635 | 0.76 | — | — | |
| SCHEMBL27741471 | 0.76 | TSHR (0.42) | — | |
| Alcohol SCHEMBL28661859 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL13259179 | 0.74 | — | — | |
| SCHEMBL4375851 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109796928-B | Organosilicon sealant, device sealed by using organosilicon sealant and application of organosilicon sealant | 北京天山新材料技术有限公司 | 2020-10-16 | — | — | CN | claimed |
| CN-109796928-B | Organosilicon sealant, device sealed by using organosilicon sealant and application of organosilicon sealant | 北京天山新材料技术有限公司 | 2020-10-16 | — | — | CN | disclosed |
| WO-2020168172-A1 | CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF | ZAMBONI CHEM SOLUTIONS INC. (CA) | 2020-08-20 | — | — | WO | disclosed |
| US-20040063580-A1 | Bicyclic triazolone derivatives and a herbicides containing the same | SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1333031-A1 | BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | Sumitomo Chemical Takeda Agro Company, Limited (JP) | 2003-08-06 | — | — | EP | disclosed |