⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5728 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL7395872 | 0.74 | — | — | |
| Formaldehyde SCHEMBL27843442 | 0.70 | — | — | |
| SCHEMBL2124100 | 0.69 | — | — | |
| Boric Acid SCHEMBL28790057 | 0.69 | HCAR2 (0.45) | — | |
| SCHEMBL15009336 | 0.69 | TRPM8 (0.40) | — | |
| SCHEMBL20195808 | 0.69 | — | — | |
| SCHEMBL1904543 | 0.69 | HCAR2 (0.45) | — | |
| SCHEMBL20375530 | 0.69 | — | — | |
| SCHEMBL12824587 | 0.67 | — | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108129411-A | The preparation method of Parecoxib Sodium intermediate 5- methyl -3,4- hexichol isoxazoles | 北京沃邦医药科技有限公司 | 2018-06-08 | — | — | CN | claimed |
| US-11690911-B2 | Combination of ATR kinase inhibitors and PD-1/PD-L1 inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2023-07-04 | — | — | US | disclosed |
| US-11660301-B2 | Combination of ATR kinase inhibitors with PARP inhibitors | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2023-05-30 | — | — | US | disclosed |
| US-20230015617-A1 | PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2023-01-19 | — | — | US | disclosed |
| WO-2022133529-A1 | HETEROCYCLIC INHIBITORS OF PCSK9 | Cardio Therapeutics Pty Ltd (AU) | 2022-06-30 | — | — | WO | disclosed |
| EP-3572402-B1 | LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2022-05-04 | — | — | EP | disclosed |
| WO-2022053803-A1 | HERBICIDAL PYRIMIDINE DERIVATIVES | MOA Technology Limited (GB) | 2022-03-17 | — | — | WO | disclosed |
| US-20210369724-A1 | COMBINATION OF ATR KINASE INHIBITORS WITH 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-12-02 | — | — | US | disclosed |
| US-11160803-B2 | Phthalazinone derivatives | KUDOS PHARMACEUTICALS LIMITED (GB) | 2021-11-02 | — | — | US | disclosed |
| EP-3689871-B1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |
| EP-1910385-B1 | BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS INC (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012083164-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012083170-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| EP-2455376-A1 | Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |
| EP-2010289-B1 | BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL | JANSSEN PHARMACEUTICA NV (BE) | 2011-11-30 | — | — | EP | disclosed |
| EP-2368890-A1 | Hepatitis C virus inhibitors | Abbott Laboratories (US) | 2011-09-28 | — | — | EP | disclosed |
| US-8017635-B2 | Phenylalkyl substituted heteroaryl derivatives | FMC CORPORATION (US) | 2011-09-13 | — | — | US | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010120935-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-10-21 | — | — | WO | disclosed |
| US-20100152045-A1 | Phenylalkyl Substituted Heteroaryl Derivatives | FMC CORPORATION | 2010-06-17 | — | — | US | disclosed |