⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11756060 | 0.92 | — | — | |
| SCHEMBL3241003 | 0.76 | — | — | |
| SCHEMBL4969448 | 0.74 | — | — | |
| SCHEMBL2775678 | 0.71 | TRIM24 (0.37) | — | |
| SCHEMBL3392422 | 0.69 | MEN1 (0.42) | — | |
| SCHEMBL8685225 | 0.69 | GRIN1 (0.34) | — | |
| SCHEMBL11457549 | 0.69 | GRIN1 (0.34) | — | |
| SCHEMBL11476686 | 0.69 | GRIN1 (0.44) | — | |
| SCHEMBL3815762 | 0.69 | TRIM24 (0.40) | — | |
| SCHEMBL3389316 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | claimed |
| US-20220033407-A1 | N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide Derivatives and their Use in the Treatment of Disease | NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. | 2022-02-03 | — | — | US | disclosed |
| CN-113398978-A | Preparation method of o-chlorocyclohexanone and catalyst thereof | 中石化南京化工研究院有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-106458810-B | Method for preparing 3-chloro-2-vinylphenol | 拜耳作物科学股份公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-106458810-A | Method for preparing 3-chloro-2-vinylphenol | 拜耳作物科学股份公司 | 2017-02-22 | — | — | CN | disclosed |
| US-4310702-A | Selective monochlorination of ketones and aromatic alcohols | ALLIED CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4267378-A | 2,2-Dialkoxy-6-chlorocyclohexanones | Van Winckel, Carl E. (CA) | 1981-05-12 | — | — | US | disclosed |
| US-4166914-A | Production of o-alkoxyphenols | Van Winckel, Carl E. (CA) | 1979-09-04 | — | — | US | disclosed |
| US-4059610-A | Process for preparing isocyanic acid derivatives | KAO SOAP CO., LTD. (JA) | 1977-11-22 | — | — | US | disclosed |
| US-3957660-A | SULFONATED PHENOLS AS DISPERSANTS | TEXACO INC. (US) | 1976-05-18 | — | — | US | disclosed |
| US-3927106-A | Preparation of tetrachlorocyclo-hexanone | QO CHEMICALS, INC. | 1975-12-16 | — | — | US | disclosed |
| US-3894087-A | Method of producing 2,2,6-trichlorocyclo-hexanone and compositions thereof | QO CHEMICALS, INC. | 1975-07-08 | — | — | US | disclosed |