⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14176589 | 0.97 | USP2 (0.33) | — | |
| SCHEMBL17462 | 0.97 | USP2 (0.33) | — | |
| SCHEMBL18353 | 0.94 | — | — | |
| SCHEMBL178384 | 0.88 | — | — | |
| SCHEMBL258284 | 0.81 | — | — | |
| SCHEMBL1462520 | 0.81 | — | — | |
| Methyl Alcohol SCHEMBL27831139 | 0.79 | ALDH1A1 (0.36) | — | |
| Methyl Alcohol SCHEMBL28179853 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL5586371 | 0.78 | CYP4F2 (0.31) | — | |
| SCHEMBL14243118 | 0.78 | GAA (0.31) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107417505-A | α halo tetramethyl-ring hexanones and its with（2,3,4,4 tetramethyl-ring amyl groups）The preparation method of methyl carboxylic acids ester | 信越化学工业株式会社 | 2017-12-01 | — | — | CN | claimed |
| US-20240216386-A1 | MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA LIMITED (GB) | 2024-07-04 | — | — | US | disclosed |
| US-11564928-B1 | Cannabinoid receptor type 2 (CB2) modulators and uses thereof | TEON THERAPEUTICS, INC. (US) | 2023-01-31 | — | — | US | disclosed |
| US-20230021916-A1 | MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE | REDX PHARMA LIMITED (GB) | 2023-01-26 | — | — | US | disclosed |
| WO-2021047581-A1 | HEXAHYDROBENZOPYRAZOLE DERIVATIVE AND PREPARATION THEREFOF | 四川海思科制药有限公司 | 2021-03-18 | — | — | WO | disclosed |
| EP-3134396-B1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2019-09-18 | — | — | EP | disclosed |
| US-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |
| US-20170037032-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-09 | — | — | US | disclosed |
| WO-2016123146-A1 | BRIDGED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME CORP. (US) | 2016-08-04 | — | — | WO | disclosed |
| EP-3050888-A1 | Compounds for the treatment of bacterial infections | Merck Sharp & Dohme Corp. (US) | 2016-08-03 | — | — | EP | disclosed |
| EP-2723737-A1 | BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | Kyorin Pharmaceutical Co., Ltd. (JP) | 2014-04-30 | — | — | EP | disclosed |
| WO-2013003383-A1 | BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2013-01-03 | — | — | WO | disclosed |
| WO-2012025857-A1 | CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025857-A1 | CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2012-03-01 | — | — | WO | disclosed |
| US-20120041026-A1 | (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS | PFIZER INC. | 2012-02-16 | — | — | US | disclosed |
| US-20100004459-A1 | 2-PHENYLNICOTINIC ACID DERIVATIVE | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 2010-01-07 | — | — | US | disclosed |
| US-20100004459-A1 | 2-PHENYLNICOTINIC ACID DERIVATIVE | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 2010-01-07 | — | — | US | disclosed |
| EP-2128136-A1 | 2-PHENYLNICOTINIC ACID DERIVATIVE | Nippon Zoki Pharmaceutical Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008085302-A1 | IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 2008-07-17 | — | — | WO | disclosed |
| US-20070225292-A1 | Therapeutic Compounds: Pyridine as Scaffold | ASTRAZENECA AB (SE) | 2007-09-27 | — | — | US | disclosed |