⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19695 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL3831840 | 0.72 | — | — | |
| SCHEMBL17511877 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL27380184 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL27594643 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL27643304 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL27504674 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL27643306 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL21831938 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL17511851 | 0.71 | ALDH1A1 (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
Appears in 3971 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107709303-B | Substituted imidazolium sulfanes and their use | 科勒研究有限公司 | 2022-05-03 | — | — | CN | claimed |
| US-9962690-B2 | N-substituted pyridiniophosphines, processes for their preparation and their use | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2018-05-08 | — | — | US | claimed |
| EP-2423212-B1 | PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND | NISSAN CHEMICAL IND LTD (JP) | 2016-06-01 | — | — | EP | claimed |
| EP-2969593-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | Bridgestone Corporation (JP) | 2016-01-20 | — | — | EP | claimed |
| EP-2673267-B1 | 1,3-DIOXAN-5-ONE COMPOUNDS | MERCK PATENT GMBH (DE) | 2015-06-03 | — | — | EP | claimed |
| WO-2014149931-A1 | POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES | BRIDGESTONE CORPORATION (JP) | 2014-09-25 | — | — | WO | claimed |
| US-20120220611-A1 | 1,3-BENZOXAZOLYL DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2012-08-30 | — | — | US | claimed |
| US-8242128-B2 | 1,3-benzoxazolyl derivatives as kinase inhibitors | MERCK PATENT GMBH (DE) | 2012-08-14 | — | — | US | claimed |
| US-20100063115-A1 | 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK PATENT GESELLSCHAFT (DE) | 2010-03-11 | — | — | US | claimed |
| US-20100056505-A1 | Substituted Pyrazalones | BIOGEN IDEC MA INC. | 2010-03-04 | — | — | US | claimed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | claimed |
| US-5580870-A | ANTICARCINOGENIC AGENTS | ZENECA LIMITED (GB) | 1996-12-03 | — | — | US | claimed |
| WO-1996036229-A1 | FUNGICIDAL CYCLIC AMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-11-21 | — | — | WO | claimed |
| EP-0602851-B1 | Quinazoline derivatives | ZENECA LTD (GB) | 1996-10-09 | — | — | EP | claimed |
| WO-1995026347-A1 | THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-05 | — | — | WO | claimed |
| US-5401738-A | Angiotensin antagonist, hypotensive, aldosteronism, cardiac insufficiency | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) | 1995-03-28 | — | — | US | claimed |
| CN-1094043-A | Quinazoline derivant | ZENECA LTD (GB) | 1994-10-26 | — | — | CN | claimed |
| EP-0602851-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1994-06-22 | — | — | EP | claimed |
| US-5280009-A | Herbicide | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | claimed |
| EP-0167820-B1 | PROCESS FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED BENZ(C,D)-INDOL-2-ONES (NAPHTHOLACTAMES) | BAYER AG (DE) | 1989-04-26 | — | — | EP | claimed |