⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14886362 | 0.77 | — | — | |
| Methacrylic Acid SCHEMBL7186865 | 0.75 | CA4 (0.45) | — | |
| Methacrylic Acid SCHEMBL7185323 | 0.75 | CA4 (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL11396802 | 0.75 | — | — | |
| Methacrylic Acid SCHEMBL7183977 | 0.75 | CA4 (0.45) | — | |
| SCHEMBL11673051 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL3573642 | 0.73 | — | — | |
| SCHEMBL15759387 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL16140641 | 0.73 | ALDH1A1 (0.45) | — | |
| Methacrylic Acid SCHEMBL8427253 | 0.73 | TSHR (0.59) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105837424-A | Synthetic method for 1-chloro-3-methyl-3-buten-2-one | 常州大学 | 2016-08-10 | — | — | CN | claimed |
| US-20230027225-A1 | ADDITIVE, ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING SAME, AND LITHIUM SECONDARY BATTERY | SAMSUNG SDI CO., LTD. (KR) | 2023-01-26 | — | — | US | disclosed |
| CN-114730917-A | Additive, electrolyte for lithium secondary battery including the same, and lithium secondary battery | 三星SDI株式会社 | 2022-07-08 | — | — | CN | disclosed |
| CN-108623513-B | Synthesis method of tetrahydroisoindole-1, 3-diketone derivative | 西北大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-107078302-A | Composite particles for electrochemical element electrode | 日本瑞翁株式会社 | 2017-08-18 | — | — | CN | disclosed |
| CN-105837424-A | Synthetic method for 1-chloro-3-methyl-3-buten-2-one | 常州大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105837424-A | Synthetic method for 1-chloro-3-methyl-3-buten-2-one | 常州大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105837424-A | Synthetic method for 1-chloro-3-methyl-3-buten-2-one | 常州大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-102472017-A | Coated paper for printing | MITSUBISHI PAPER MILLS LTD | 2012-05-23 | — | — | CN | disclosed |
| US-20090093507-A1 | CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. | 2009-04-09 | — | — | US | disclosed |
| US-20080221132-A1 | Multi-Functional Small Molecules as Anti-Proliferative Agents | CURIS, INC. | 2008-09-11 | — | — | US | disclosed |
| CN-100415814-C | Silica-containing rubber composition and method for producing same | ZEON CORP (JP) | 2008-09-03 | — | — | CN | disclosed |
| CN-1842569-A | Rubber composition containing silica and method for production therof | ZEON CORP (JP) | 2006-10-04 | — | — | CN | disclosed |