⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10478984 | 0.80 | TLR4 (0.33) | — | |
| SCHEMBL172692 | 0.78 | — | — | |
| SCHEMBL5209248 | 0.76 | — | — | |
| SCHEMBL186361 | 0.76 | — | — | |
| SCHEMBL16808734 | 0.76 | — | — | |
| SCHEMBL15171236 | 0.76 | — | — | |
| SCHEMBL2193685 | 0.74 | — | — | |
| SCHEMBL8498779 | 0.74 | KMT2A (0.52) | — | |
| SCHEMBL5163241 | 0.74 | KMT2A (0.52) | — | |
| SCHEMBL11476526 | 0.74 | KMT2A (0.52) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115710169-B | Preparation method of squaric acid | 北京成宇化工有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-115710169-A | Preparation method of squaric acid | 北京成宇化工有限公司 | 2023-02-24 | — | — | CN | claimed |
| CN-115710169-B | Preparation method of squaric acid | 北京成宇化工有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115710169-B | Preparation method of squaric acid | 北京成宇化工有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-116262749-A | Aromatic heterocycle substituted compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-06-16 | — | — | CN | disclosed |
| WO-2023070373-A1 | APPLICATION OF POLYCYCLIC POLYKETIDE COMPOUND IN PREPARATION OF ANTI-SARS-COV-2 DRUG | 暨南大学 | 2023-05-04 | — | — | WO | disclosed |
| CN-115710169-A | Preparation method of squaric acid | 北京成宇化工有限公司 | 2023-02-24 | — | — | CN | disclosed |
| CN-115710169-A | Preparation method of squaric acid | 北京成宇化工有限公司 | 2023-02-24 | — | — | CN | disclosed |
| CN-112741831-B | Application of polycyclic polyketide in preparation of novel coronavirus resistant drugs | 暨南大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-112741831-A | Application of polycyclic polyketide in preparation of novel coronavirus resistant drugs | 暨南大学 | 2021-05-04 | — | — | CN | disclosed |
| CN-110075102-B | Application of polycyclic polyketide in preparation of anti-herpes virus drugs | 暨南大学 | 2021-04-09 | — | — | CN | disclosed |
| JP-2002249454-A | METHOD FOR PRODUCING CYCLOBUTANONES | MITSUBISHI CHEMICALS CORP | 2002-09-06 | — | — | JP | disclosed |
| WO-2002048083-A2 | STABILIZED CYCLOBUTANONE COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2002-06-20 | — | — | WO | disclosed |
| US-6248927-B1 | PHENOLIC STABILIZER | EASTMAN CHEMICAL COMPANY | 2001-06-19 | — | — | US | disclosed |
| US-4693745-A | Cyclohexanedionecarboxylic acid derivatives with herbicidal and plant growth regulating properties | CIBA-GEIGY CORPORATION (US) | 1987-09-15 | — | — | US | disclosed |
| US-4691052-A | Process for the preparation of pyrethroid acids | S.C. JOHNSON & SON, INC. (US) | 1987-09-01 | — | — | US | disclosed |
| US-4351961-A | 2-(2',2'-Dichloro-3',3',3'-trifluoropropyl)- and 2-(2',2',3'-trichloro-3',3'-difluoropropyl)-4-chlorocyclobutan-1-ones | CIBA-GEIGY CORPORATION (US) | 1982-09-28 | — | — | US | disclosed |
| EP-0050777-A2 | Preparation of cyclopropane-carboxylic-acid-substituted chloro-fluoro-alkyl esters, their derivatives and intermediates | BAYER AG (DE) | 1982-05-05 | — | — | EP | disclosed |
| WO-1981000409-A1 | INTERMEDIATE COMPOUNDS FOR PREPARATION OF MORPHINE DERIVATIVES | MALLINCKRODT INC (US) | 1981-02-19 | — | — | WO | disclosed |
| EP-0011669-A1 | Cycloheptatriene compounds and process for the preparation of cycloheptatriene compounds | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |