⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9040661 | 0.97 | ATM (0.56) | — | |
| SCHEMBL429744 | 0.97 | ATM (0.56) | — | |
| SCHEMBL11406639 | 0.94 | — | — | |
| SCHEMBL8642977 | 0.88 | — | — | |
| SCHEMBL10972781 | 0.88 | ALDH1A1 (0.50) | — | |
| SCHEMBL2645083 | 0.78 | ATM (0.68) | — | |
| SCHEMBL4012332 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL8663123 | 0.78 | ATM (0.48) | — | |
| SCHEMBL423971 | 0.77 | — | — | |
| SCHEMBL14349488 | 0.77 | ATM (0.59) | — |
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 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9487494-B2 | Cyclic hydrocarbon compounds for the treatment of diseases | LEO PHARMA A/S (DK) | 2016-11-08 | — | — | US | claimed |
| US-8633206-B2 | Pyrrolo[2,3-D]pyrimidine compounds | PFIZER INC. (US) | 2014-01-21 | — | — | US | claimed |
| EP-2643000-A2 | THERAPEUTIC PIPERAZINES | Dart Neuroscience (Cayman) Ltd (KY) | 2013-10-02 | — | — | EP | claimed |
| EP-2488524-B1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | PFIZER (US) | 2013-07-03 | — | — | EP | claimed |
| US-20120301426-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-11-29 | — | — | US | claimed |
| CN-101513550-B | Rapidly dissolving micro-perforator for drug delivery and other applications | THERAJECT INC | 2012-09-12 | — | — | CN | claimed |
| EP-2488524-A1 | PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS | Pfizer Inc. (US) | 2012-08-22 | — | — | EP | claimed |
| EP-2440519-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS | Gilead Sciences, Inc. (US) | 2012-04-18 | — | — | EP | claimed |
| WO-2012040258-A2 | THERAPEUTIC PIPERAZINES | HELICON THERAPEUTICS, INC. (US) | 2012-03-29 | — | — | WO | claimed |
| EP-2358348-A1 | PEPTIDES THAT BIND TO SILICA-COATED PARTICLES | E. I. du Pont de Nemours and Company (US) | 2011-08-24 | — | — | EP | claimed |
| US-20090099157-A1 | TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. | 2009-04-16 | — | — | US | claimed |
| US-20080255159-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2008-10-16 | — | — | US | claimed |
| US-20080249089-A1 | 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2008-10-09 | — | — | US | claimed |
| WO-2008100621-A2 | TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | claimed |
| US-20070049594-A1 | Novel compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-01 | — | — | US | claimed |
| US-20040097510-A1 | 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-20 | — | — | US | claimed |
| EP-1383748-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-01-28 | — | — | EP | claimed |
| WO-2002051983-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | WO | claimed |
| US-5977102-A | INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; | DR. KARL THOMAE GMBH (DE) | 1999-11-02 | — | — | US | claimed |
| US-5821240-A | ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1998-10-13 | — | — | US | claimed |