⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1148927 | 1.00 | — | — | |
| SCHEMBL1006329 | 1.00 | — | — | |
| Oxalic Acid SCHEMBL1999155 | 0.87 | GABRR1 (0.50) | — | |
| Sulfuric Acid SCHEMBL21552195 | 0.87 | TSHR (0.44) | — | |
| SCHEMBL5046450 | 0.82 | — | — | |
| SCHEMBL16174341 | 0.80 | — | — | |
| SCHEMBL27521764 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL48612 | 0.79 | — | — | |
| SCHEMBL14113732 | 0.79 | TSHR (0.69) | — | |
| SCHEMBL168774 | 0.79 | TSHR (0.69) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024008941-A1 | NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS | LES LABORATOIRES SERVIER (FR) | 2024-01-11 | — | — | WO | disclosed |
| US-20170298021-A1 | 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors | NORTHWESTERN UNIVERSITY (US) | 2017-10-19 | — | — | US | disclosed |
| US-9732037-B2 | 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors | NORTHWESTERN UNIVERSITY (US) | 2017-08-15 | — | — | US | disclosed |
| US-20160347713-A1 | 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors | NORTHWESTERN UNIVERSITY | 2016-12-01 | — | — | US | disclosed |
| US-8309721-B2 | HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof | SANOFI (FR) | 2012-11-13 | — | — | US | disclosed |
| US-20110166169-A1 | NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-07-07 | — | — | US | disclosed |
| EP-2265598-A2 | NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | Sanofi-Aventis (FR) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009122034-A2 | NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2009-10-08 | — | — | WO | disclosed |
| US-6743944-B1 | FORMING DIASTEREOMERIC SALT OF RACEMIC 4-AMINO-2-METHYL-BUTANE-1-OL AND OPTICALLY ACTIVE ORGANIC ACID; CRYSTALLI-ZATION; ALKALI SOLUTION DECOMPOSITION | MITSUBISHI RAYON CO., LTD. (JP) | 2004-06-01 | — | — | US | disclosed |
| EP-0733632-B1 | Cyclic compounds, their production and use as tachykinin receptor antagonists | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-06-04 | — | — | EP | disclosed |
| EP-1184036-A2 | Heterocyclic compounds, their production and use as tachykinin receptor antagonists | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |
| EP-1145714-A1 | DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2001-10-17 | — | — | EP | disclosed |
| CN-1291099-A | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-04-11 | — | — | CN | disclosed |
| EP-1061926-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-6147071-A | TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| WO-1999047132-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-23 | — | — | WO | disclosed |
| US-5786352-A | CARDIOVASCULAR DISORDERS, TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| US-5770590-A | EXCELLENT TACHYKININ RECEPTOR ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| CN-1140172-A | Cyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-01-15 | — | — | CN | disclosed |
| EP-0733632-A1 | Cyclic compounds, their production and use as tachykinin receptor antagonists | Takeda Chemical Industries, Ltd. (JP) | 1996-09-25 | — | — | EP | disclosed |