⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11620933 | 1.00 | — | — | |
| SCHEMBL11620938 | 1.00 | — | — | |
| SCHEMBL11562125 | 0.80 | — | — | |
| SCHEMBL11445000 | 0.79 | NPSR1 (0.57) | — | |
| SCHEMBL11740838 | 0.79 | NPSR1 (0.47) | — | |
| SCHEMBL11444999 | 0.79 | NPSR1 (0.57) | — | |
| SCHEMBL11623721 | 0.79 | NPSR1 (0.47) | — | |
| SCHEMBL14508423 | 0.79 | NPSR1 (0.47) | — | |
| SCHEMBL822962 | 0.78 | — | — | |
| SCHEMBL4331620 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190166840-A1 | SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-06-06 | — | — | US | disclosed |