⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27678795 | 0.97 | CYP2A6 (0.50) | — | |
| SCHEMBL14071659 | 0.92 | TP53 (0.43) | — | |
| SCHEMBL19071814 | 0.83 | CHKA (0.41) | — | |
| SCHEMBL36295 | 0.83 | TP53 (0.67) | — | |
| SCHEMBL27498499 | 0.80 | TAAR1 (0.60) | — | |
| SCHEMBL31498555 | 0.79 | TP53 (0.62) | — | |
| SCHEMBL27756675 | 0.79 | TP53 (0.62) | — | |
| SCHEMBL7542835 | 0.79 | TP53 (0.62) | — | |
| Hydrogen Sulfide SCHEMBL29290777 | 0.79 | TP53 (0.62) | — | |
| SCHEMBL28166306 | 0.79 | TP53 (0.62) | — |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1988005793-A1 | CATALYSTS, METHOD OF PREPARING THESE CATALYSTS AND METHOD OF USING SAID CATALYSTS | EXXON CHEMICAL PATENTS, INC. (US) | 1988-08-11 | — | — | WO | claimed |
| EP-0277004-A1 | Catalysts, method of preparing these catalysts and method of using said catalysts | EXXON CHEMICAL PATENTS INC. (US) | 1988-08-03 | — | — | EP | claimed |
| EP-3894410-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-10-11 | — | — | EP | disclosed |
| US-11702473-B2 | Site-specific antibody-drug conjugates | MEDIMMUNE LIMITED (GB) | 2023-07-18 | — | — | US | disclosed |
| US-11559581-B2 | Antibody conjugates and methods of making the antibody conjugates | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2023-01-24 | — | — | US | disclosed |
| WO-2022100147-A1 | PROGRAMMABLE NANO-REACTORS FOR STOCHASTIC SENSING (PNRSS) | NANJING UNIVERSITY (CN) | 2022-05-19 | — | — | WO | disclosed |
| WO-2021248231-A1 | COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS | RELIVE THERAPEUTICS INC. (CA) | 2021-12-16 | — | — | WO | disclosed |
| US-20200399365-A1 | SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES | OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. | 2020-12-24 | — | — | US | disclosed |
| CN-106414434-B | Isothiazole derivatives as GPR120 agonists for the treatment of type II diabetes | 詹森药业有限公司 | 2019-12-31 | — | — | CN | disclosed |
| EP-3421506-A1 | METALLOCENE SUPPORTED CATALYST AND METHOD FOR PRODUCING POLYPROPYLENE USING SAME | LG Chem, Ltd. (KR) | 2019-01-02 | — | — | EP | disclosed |
| CN-108349962-A | Substituted pyrazole and pyrrole compounds and methods of using the same for inhibiting translation initiation and treating diseases and disorders associated therewith | 班塔姆制药有限责任公司 | 2018-07-31 | — | — | CN | disclosed |
| WO-2008070016-A2 | INHIBITORS OF AKT ACTIVITY | MERCK & CO., INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| US-20080045598-A1 | Novel sulfonanilide analogs as selective aromatase modulators (SAMs) | THE OHIO STATE UNIVERSITY (US) | 2008-02-21 | — | — | US | disclosed |
| EP-1761529-B1 | PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS | NOVARTIS AG (CH) | 2007-11-14 | — | — | EP | disclosed |
| EP-1225882-B1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2007-10-17 | — | — | EP | disclosed |
| WO-2007090826-A1 | PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-16 | — | — | WO | disclosed |
| US-20070043095-A1 | Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use | IPSEN PHARMA S.A.S. (FR) | 2007-02-22 | — | — | US | disclosed |
| US-20070032525-A1 | Piperidine derivatives having ccr3 antagonism | TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) | 2007-02-08 | — | — | US | disclosed |
| US-6245706-B1 | GROUP-4 METALLOCENE STABILIZED WITH AN ANIONIC POLYNUCLEAR BORON COMPOUND FOR IMPROVED POLYMER MOLECULAR WEIGHT CONTROL AND NARROW MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS, INC. | 2001-06-12 | — | — | US | disclosed |
| US-5599761-A | Ionic metallocene catalyst compositions | EXXON CHEMICAL PATENTS, INC. (US) | 1997-02-04 | — | — | US | disclosed |