⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1141344 | 0.75 | — | — | |
| SCHEMBL3282874 | 0.75 | — | — | |
| SCHEMBL14966742 | 0.75 | — | — | |
| SCHEMBL1706714 | 0.75 | — | — | |
| SCHEMBL4391911 | 0.75 | — | — | |
| SCHEMBL4806362 | 0.71 | — | — | |
| SCHEMBL15484139 | 0.62 | — | — | |
| SCHEMBL13991620 | 0.58 | — | — | |
| SCHEMBL1822182 | 0.57 | ALDH1A1 (0.36) | — | |
| SCHEMBL19993324 | 0.57 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014002110-A1 | SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | disclosed |
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | disclosed |
| WO-2013025939-A2 | COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2013-02-21 | — | — | WO | disclosed |
| EP-2411363-A1 | SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS | Bayer Pharma AG (DE) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108608-A1 | SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-30 | — | — | WO | disclosed |
| WO-2009089042-A1 | PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2009-07-16 | — | — | WO | disclosed |
| US-20050026903-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-03 | — | — | US | disclosed |
| US-5182381-A | Intermediates for 3-keto-19-nor-Δ4,9 -steroids | ROUSSEL ULCAF (FR) | 1993-01-26 | — | — | US | disclosed |