⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27658634 | 0.81 | — | — | |
| SCHEMBL19418189 | 0.79 | — | — | |
| SCHEMBL27804616 | 0.79 | — | — | |
| SCHEMBL6291341 | 0.79 | — | — | |
| SCHEMBL1921339 | 0.79 | — | — | |
| SCHEMBL30042216 | 0.79 | MGAM (0.43) | — | |
| SCHEMBL13242077 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL10525623 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL15722793 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL9451858 | 0.77 | MEN1 (0.34) | — |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112225645-B | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-112225645-A | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | claimed |
| US-20130059320-A1 | Selective growth media for campylobacter bacteria and plating media with said growth media | RESTAINO LAWRENCE (US) | 2013-03-07 | — | — | US | claimed |
| US-20230029301-A1 | SCALEABLE PREPARATION OF POLYKETIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-01-26 | — | — | US | disclosed |
| CN-112225645-B | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| EP-4009966-A1 | SCALEABLE PREPARATION OF POLYKETIDES | The Regents of the University of California (US) | 2022-06-15 | — | — | EP | disclosed |
| WO-2021026273-A1 | SCALEABLE PREPARATION OF POLYKETIDES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-02-11 | — | — | WO | disclosed |
| CN-112225645-A | Preparation method of m-cresol | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |
| EP-2635640-B1 | NOVEL APPLICATIONS OF INDOLOINDOLE AND INDOLOQUINOLINE DYES | BIOSYNTH AG (CH) | 2019-07-10 | — | — | EP | disclosed |
| US-9718052-B2 | Catalysts and related processes for producing optically pure beta-lactones from aldehydes and compositions produced thereby | THE UNIVERSITY OF TOLEDO (US) | 2017-08-01 | — | — | US | disclosed |
| US-20170021343-A1 | Catalysts and Related Processes For Producing Optically Pure Beta-Lactones From Aldehydes and Compositions Produced Thereby | THE UNIVERSITY OF TOLEDO (US) | 2017-01-26 | — | — | US | disclosed |
| EP-0714897-B1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMA CO LTD (JP) | 2001-02-14 | — | — | EP | disclosed |
| EP-0906108-A4 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-6087360-A | TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |
| EP-0906108-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-04-07 | — | — | EP | disclosed |
| US-5834483-A | Method of treating heart failure with endothelin antagonists | MERCK & CO., INC. (US) | 1998-11-10 | — | — | US | disclosed |
| US-5714479-A | TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-03 | — | — | US | disclosed |
| WO-1997037665-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-10-16 | — | — | WO | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |
| US-4128728-A | Production of 2,3,6-trimethylphenol | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |