⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL521908 | 1.00 | — | — | |
| SCHEMBL10040089 | 1.00 | — | — | |
| SCHEMBL926014 | 0.91 | PARP1 (0.30) | — | |
| SCHEMBL854898 | 0.88 | — | — | |
| SCHEMBL16500279 | 0.87 | — | — | |
| SCHEMBL861857 | 0.87 | — | — | |
| SCHEMBL318544 | 0.87 | NPY5R (0.30) | — | |
| SCHEMBL318146 | 0.84 | AR (0.31) | — | |
| SCHEMBL855863 | 0.84 | — | — | |
| SCHEMBL854459 | 0.84 | KDM4E (0.30) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130109757-A1 | PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-02 | — | — | US | disclosed |
| US-20130109757-A1 | PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-02 | — | — | US | disclosed |
| US-20130109757-A1 | PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-05-02 | — | — | US | disclosed |
| CN-103038213-A | Process for the preparation of pyrrolines from gamma-nitroketones, use of the gamma-nitroketones as pesticidal agents | BAYER CROPSCIENCE AG | 2013-04-10 | — | — | CN | disclosed |
| WO-2012034957-A1 | PESTICIDAL PYRROLINE N-OXIDE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-03-22 | — | — | WO | disclosed |
| US-20120029202-A1 | Process for the Preparation of 5-Substituted 3-Aryl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrroles | BAYER CROPSCIENCE AG (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20120029202-A1 | Process for the Preparation of 5-Substituted 3-Aryl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrroles | BAYER CROPSCIENCE AG (DE) | 2012-02-02 | — | — | US | disclosed |
| US-20120029202-A1 | Process for the Preparation of 5-Substituted 3-Aryl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrroles | BAYER CROPSCIENCE AG (DE) | 2012-02-02 | — | — | US | disclosed |
| WO-2012004326-A1 | PESTICIDAL PYRROLINE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-01-12 | — | — | WO | disclosed |
| WO-2011141414-A1 | PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED 3-ARYL-3-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-PYRROLES | BAYER CROPSCIENCE AG (DE) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011128299-A1 | PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS | BAYER CROPSCIENCE AG (DE) | 2011-10-20 | — | — | WO | disclosed |