⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13797325 | 0.79 | — | — | |
| Propionic Acid SCHEMBL8439677 | 0.78 | FFAR3 (0.56) | — | |
| SCHEMBL15921216 | 0.74 | — | — | |
| SCHEMBL192650 | 0.74 | — | — | |
| SCHEMBL192651 | 0.74 | — | — | |
| SCHEMBL17129677 | 0.72 | — | — | |
| SCHEMBL16407593 | 0.72 | — | — | |
| SCHEMBL11058175 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL114486 | 0.69 | — | — | |
| SCHEMBL6270964 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3148976-B1 | PROCESS FOR PREPARING DIHYDROISOXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-03-13 | — | — | EP | disclosed |
| US-20180103641-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-04-19 | — | — | US | disclosed |
| US-20170137417-A1 | PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-05-18 | — | — | US | disclosed |
| US-20170137417-A1 | PHENYLPIPERIDINECARBOXAMIDE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-05-18 | — | — | US | disclosed |
| US-20160200720-A1 | HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-07-14 | — | — | US | disclosed |
| US-9375009-B2 | Heteroarylpiperidine and piperazine derivatives as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-06-28 | — | — | US | disclosed |
| WO-2015181097-A1 | PROCESS FOR PREPARING THIAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2015-12-03 | — | — | WO | disclosed |
| WO-2015181189-A1 | PROCESS FOR PREPARING DIHYDROISOXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2015-12-03 | — | — | WO | disclosed |
| US-20150024935-A1 | HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-01-22 | — | — | US | disclosed |