⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12693922 | 0.54 | — | — | |
| SCHEMBL918423 | 0.54 | — | — | |
| SCHEMBL20885382 | 0.54 | — | — | |
| SCHEMBL10771510 | 0.50 | — | — | |
| SCHEMBL35514 | 0.48 | — | — | |
| SCHEMBL6593414 | 0.48 | ALDH1A1 (0.33) | — | |
| SCHEMBL10760105 | 0.48 | — | — | |
| SCHEMBL25392296 | 0.46 | — | — | |
| SCHEMBL23068653 | 0.45 | ALDH1A1 (0.36) | — | |
| SCHEMBL8464126 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5214187-A | Pesticide intermediates | BASF AKTIENGESELLSCHAFT (DE) | 1993-05-25 | — | — | US | disclosed |
| US-5202503-A | Chemical intermediates for the preparation of pesticides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-13 | — | — | US | disclosed |
| US-5147645-A | Insecticides, miticides, nematocides | BASF AKTIENGESELLSCHAFT (DE) | 1992-09-15 | — | — | US | disclosed |
| EP-0347693-B1 | BENZONITRILES, BENZALDEHYDES AND BENZYL ALCOHOLS, AND PROCESSES FOR THEIR PRODUCTION | BASF Aktiengesellschaft (DE) | 1992-09-09 | — | — | EP | disclosed |
| EP-0347694-B1 | PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS | BASF Aktiengesellschaft (DE) | 1992-08-26 | — | — | EP | disclosed |
| US-5101061-A | Pesticide Intermediates | BASF AKTIENGESELLSCHAFT (DE) | 1992-03-31 | — | — | US | disclosed |
| US-4950796-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES, ACARICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1990-08-21 | — | — | US | disclosed |
| EP-0347694-A1 | Pyrethroids, process for their preparation and their use in combating pests | BASF Aktiengesellschaft (DE) | 1989-12-27 | — | — | EP | disclosed |