⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28649225 | 0.96 | ALDH1A1 (0.46) | — | |
| Isopropyl Alcohol SCHEMBL5771119 | 0.96 | — | — | |
| Isopropyl Alcohol SCHEMBL27974364 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL3423945 | 0.92 | — | — | |
| Formic Acid SCHEMBL1704314 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL10963718 | 0.85 | ALDH1A1 (0.43) | — | |
| Isopropyl Alcohol SCHEMBL28882754 | 0.84 | ALDH1A1 (0.35) | — | |
| Isopropyl Alcohol SCHEMBL29165312 | 0.84 | ALDH1A1 (0.35) | — | |
| Isobutane SCHEMBL29090726 | 0.82 | ADH1B (0.35) | — | |
| Isobutane SCHEMBL29280324 | 0.82 | ADH1B (0.35) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118169264-A | Method for determining vitamin E and squalene in vegetable oil | 甘肃省产品质量监督检验研究院 | 2024-06-11 | — | — | CN | claimed |
| CN-110187044-B | Quality detection method of Yinqiao detoxification oral liquid | 山东省农业科学院家禽研究所 | 2021-04-27 | — | — | CN | claimed |
| CN-110187044-A | A kind of quality determining method of Yinqiao Jiedu oral liquid | 山东省农业科学院家禽研究所 | 2019-08-30 | — | — | CN | claimed |
| CN-106483201-A | A kind of detection method of Tibetan medicine Radix phlomidis younghusbandii | 山东金诃药物研究开发有限公司 | 2017-03-08 | — | — | CN | claimed |
| CN-118169264-A | Method for determining vitamin E and squalene in vegetable oil | 甘肃省产品质量监督检验研究院 | 2024-06-11 | — | — | CN | disclosed |
| EP-3165925-B1 | METHODS FOR THE DIAGNOSIS OF COLORECTAL CANCER | MED LIFE DISCOVERIES LP (CA) | 2021-09-08 | — | — | EP | disclosed |
| US-11079385-B2 | Serum-based biomarkers of pancreatic cancer and uses thereof for disease detection and diagnosis | MED-LIFE DISCOVERIES LP (CA) | 2021-08-03 | — | — | US | disclosed |
| CN-110187044-B | Quality detection method of Yinqiao detoxification oral liquid | 山东省农业科学院家禽研究所 | 2021-04-27 | — | — | CN | disclosed |
| US-20210041444-A1 | METHODS FOR DIAGNOSING A COLORECTAL CANCER (CRC) HEALTH STATE OR CHANGE IN CRC HEALTH STATE, OR FOR DIAGNOSING RISK OF DEVELOPING CRC OR THE PRESENCE OF CRC IN A SUBJECT | PHENOMENOME DISCOVERIES INC. (CA) | 2021-02-11 | — | — | US | disclosed |
| US-20210033614-A1 | SERUM-BASED BIOMARKERS OF PANCREATIC CANCER AND USES THEREOF FOR DISEASE DETECTION AND DIAGNOSIS | MED LIFE DISCOVERIES LP (CA) | 2021-02-04 | — | — | US | disclosed |
| US-10697969-B2 | Methods for diagnosing a colorectal cancer (CRC) health state or change in CRC health state, or for diagnosing risk of developing CRC or the presence of CRC in a subject | MED-LIFE DISCOVERIES LP (CA) | 2020-06-30 | — | — | US | disclosed |
| US-10656155-B2 | Serum-based biomarkers of pancreatic cancer and uses thereof for disease detection and diagnosis | MED-LIFE DISCOVERIES LP (CA) | 2020-05-19 | — | — | US | disclosed |
| EP-2459510-A1 | HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS | Phenomenome Discoveries Inc. (CA) | 2012-06-06 | — | — | EP | disclosed |
| US-20120136057-A1 | HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS | PHENOMENOME DISCOVERIES INC. (CA) | 2012-05-31 | — | — | US | disclosed |
| WO-2011038509-A1 | SERUM-BASED BIOMARKERS OF PANCREATIC CANCER AND USES THEREOF FOR DISEASE DETECTION AND DIAGNOSIS | PHENOMENOME DISCOVERIES INC. (CA) | 2011-04-07 | — | — | WO | disclosed |
| WO-2011011882-A1 | HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS | PHENOMENOME DISCOVERIES INC. (CA) | 2011-02-03 | — | — | WO | disclosed |
| US-20100209486-A1 | Method of enhancing CoenzymeQ10 levels in mammals | LAILA IMPEX (IN) | 2010-08-19 | — | — | US | disclosed |
| US-20080255764-A1 | Methods for the Diagnosis of Colorectal Cancer and Ovarian Cancer by the Measurement of Vitamin E-Related Metabolites | PHENOMENOME DISCOVERIES INC. (CA) | 2008-10-16 | — | — | US | disclosed |
| EP-1931995-A2 | METHODS FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER HEALTH STATES | Phenomenome Discoveries Inc. (CA) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007030928-A2 | METHOD FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER BY THE MEASUREMENT OF VITAMIN E-RELATED METABOLITES | PHENOMENOME DISCOVERIES INC. (CA) | 2007-03-22 | — | — | WO | disclosed |