⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1578549 | 1.00 | — | — | |
| SCHEMBL4280351 | 1.00 | CA12 (0.91) | — | |
| SCHEMBL3783862 | 1.00 | CA12 (0.91) | — | |
| SCHEMBL8649501 | 0.96 | — | — | |
| SCHEMBL27680929 | 0.96 | CA12 (0.83) | — | |
| SCHEMBL6570122 | 0.96 | CA12 (0.83) | — | |
| Trientine SCHEMBL19712094 | 0.96 | CA12 (0.92) | — | |
| SCHEMBL5314937 | 0.95 | CA12 (1.00) | — | |
| SCHEMBL15381 | 0.95 | — | — | |
| SCHEMBL25342922 | 0.91 | CA12 (1.00) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112726251-B | Mixed broadleaf material element-free chlorine bleaching method | 山东晨鸣纸业集团股份有限公司 | 2023-05-16 | — | — | CN | claimed |
| CN-102399199-B | Preparation method of magnetic resonance imaging contrast agent | GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD | 2014-01-08 | — | — | CN | claimed |
| CN-102399199-A | Preparation method of magnetic resonance imaging contrast agent | GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD | 2012-04-04 | — | — | CN | claimed |
| CN-112726251-B | Mixed broadleaf material element-free chlorine bleaching method | 山东晨鸣纸业集团股份有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-108277367-B | Method for extracting lithium from lithium-containing ore | 中国科学院过程工程研究所 | 2020-09-18 | — | — | CN | disclosed |
| CN-104911623-A | Mechanical part cleaning agent | CHENG YEHONG | 2015-09-16 | — | — | CN | disclosed |
| CN-103074169-B | Special cleaning agent for liquid crystal display screen | SHANGHAI YANZI CHEMICAL TECH | 2014-06-18 | — | — | CN | disclosed |
| CN-102399199-B | Preparation method of magnetic resonance imaging contrast agent | GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD | 2014-01-08 | — | — | CN | disclosed |
| CN-103074169-A | Special cleaning agent for liquid crystal display screen | SHANGHAI YANZI CHEMICAL TECH | 2013-05-01 | — | — | CN | disclosed |
| CN-102399199-A | Preparation method of magnetic resonance imaging contrast agent | GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD | 2012-04-04 | — | — | CN | disclosed |
| US-7737231-B2 | Process for producing water-absorbing resin | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2010-06-15 | — | — | US | disclosed |
| US-20050085604-A1 | Process for producing water-absorbing resin | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2005-04-21 | — | — | US | disclosed |