⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10499492 | 1.00 | — | — | |
| SCHEMBL6435439 | 0.85 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL6435438 | 0.85 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL10337682 | 0.85 | CNR2 (0.49) | — | |
| SCHEMBL14183210 | 0.85 | CNR2 (0.49) | — | |
| SCHEMBL206600 | 0.81 | — | — | |
| SCHEMBL12784689 | 0.81 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL28820746 | 0.79 | PPARG (0.42) | — | |
| SCHEMBL282534 | 0.79 | — | — | |
| SCHEMBL14621157 | 0.78 | SMN1; SMN2 (0.40) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2012500821-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2318403-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2011-05-11 | — | — | EP | claimed |
| WO-2010023161-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-04 | — | — | WO | claimed |
| EP-2220048-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | Boehringer Ingelheim International GmbH (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009063061-A2 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |
| US-4439329-A | Aqueous based fire fighting foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers | CIBA-GEIGY CORPORATION (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0083312-A1 | Aqueous based fire foam compositions containing hydrocarbyl sulfide terminated oligomer stabilizers | CIBA-GEIGY AG (CH) | 1983-07-06 | — | — | EP | disclosed |
| US-4209446-A | FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT | HAARMAN & REIMER GMBH (DE) | 1980-06-24 | — | — | US | disclosed |
| US-4209445-A | FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX | HAARMAN & REIMER GMBH (DE) | 1980-06-24 | — | — | US | disclosed |