⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL4651930 | 0.67 | ALDH1A1 (0.90) | — | |
| SCHEMBL216526 | 0.64 | ALDH1A1 (0.67) | — | |
| SCHEMBL4822044 | 0.64 | — | — | |
| SCHEMBL5207 | 0.64 | — | — | |
| Toluene SCHEMBL28313435 | 0.61 | — | — | |
| SCHEMBL2637978 | 0.60 | ALDH1A1 (0.50) | — | |
| Biphenyl SCHEMBL2548048 | 0.60 | ALDH1A1 (1.00) | — | |
| Biphenyl SCHEMBL4002609 | 0.60 | ALDH1A1 (1.00) | — | |
| SCHEMBL25965 | 0.60 | ALDH1A1 (0.50) | — | |
| Biphenyl SCHEMBL1358618 | 0.60 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819792-A | Mixed metal-base tricarboxylic acid coordination polymer, preparation method and adsorption method thereof | 陕西煤业化工技术研究院有限责任公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-110508801-A | A kind of new energy resource power battery relay contact material and preparation method thereof | HUNAN MEICHENG CERAMIC TECH CO LTD | 2019-11-29 | — | — | CN | disclosed |
| EP-1337536-B1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEM PATENTS INC (US) | 2012-09-12 | — | — | EP | disclosed |
| CN-101367825-B | Double-carbene clamp type rareearth complexes, preparation method and uses of the same in cis-1,4 selective polymerization of diolefin | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2012-02-08 | — | — | CN | disclosed |
| CN-101367825-A | Double-carbene clamp type rareearth complexes, preparation method and uses of the same in cis-1,4 selective polymerization of diolefin | CHANGCHUN APPLIED CHEMISTRY (CN) | 2009-02-18 | — | — | CN | disclosed |
| US-7390861-B2 | Cationic group-3 catalyst system | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-06-24 | — | — | US | disclosed |
| US-20040033891-A1 | Cationic group-3 catalyst system | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-02-19 | — | — | US | disclosed |
| CN-1469881-A | cationic Group 3 catalyst system | ����ɭ���ڻ�ѧר����˾ | 2004-01-21 | — | — | CN | disclosed |
| EP-1337536-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | ExxonMobil Chemical Patents Inc. (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002032909-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-04-25 | — | — | WO | disclosed |