⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22926564 | 0.84 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28112822 | 0.82 | — | — | |
| SCHEMBL696010 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28038248 | 0.76 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1201605 | 0.76 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL345144 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1273427 | 0.73 | — | — | |
| SCHEMBL75984 | 0.73 | — | — | |
| SCHEMBL1139426 | 0.73 | — | — | |
| SCHEMBL6257525 | 0.72 | — | — |
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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6787540-B2 | FOR THERAPY OF AUTOIMMUNE DISEASES, ASTHMA, OSTEOPOROSIS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-09-07 | — | — | US | claimed |
| EP-1322613-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2003-07-02 | — | — | EP | claimed |
| US-20020137932-A1 | Novel compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-09-26 | — | — | US | claimed |
| WO-2002020485-A1 | SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-03-14 | — | — | WO | claimed |
| WO-2022017368-A1 | DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 首药控股(北京)股份有限公司 | 2022-01-27 | — | — | WO | disclosed |
| US-8026365-B2 | 4,4-disubstituted piperidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-7727999-B2 | substituted 1,3,8-triaza-spiro[4.5]decan-2-one compounds, used as selective serotonin receptor antagonists, used rfor the treatment of schizophrenia, psychosis, headaches, hypertension, thrombosis, vasospasm, depression, anxiety, sleep disorders and appetite disorders | ACADIA PHARMACEUTICALS INC. (US) | 2010-06-01 | — | — | US | disclosed |
| EP-2152710-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-02-17 | — | — | EP | disclosed |
| US-20090131418-A1 | SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS | ACADIA PHARAMCEUTICALS, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| US-7511053-B2 | Spiroazacyclic compounds as monoamine receptor modulators | ACADIA PHARMACEUTICALS, INC. (US) | 2009-03-31 | — | — | US | disclosed |
| WO-2008145524-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-04 | — | — | WO | disclosed |
| US-20080293756-A1 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-27 | — | — | US | disclosed |
| WO-1999010524-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| EP-0854869-A1 | SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | ELI LILLY AND COMPANY (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5739336-A | SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997038665-A2 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | disclosed |
| WO-1997011940-A1 | SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION | ELI LILLY AND COMPANY (US) | 1997-04-03 | — | — | WO | disclosed |
| US-5610142-A | Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids | SCIOS INC. (US) | 1997-03-11 | — | — | US | disclosed |
| WO-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |
| US-4097587-A | 1,3,8-Triazaspiro 4.5!decane-2,4-dione polymer stabilizers | SANKYO COMPANY, LIMITED (JA) | 1978-06-27 | — | — | US | disclosed |