⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8923521 | 1.00 | — | — | |
| SCHEMBL11047452 | 1.00 | — | — | |
| SCHEMBL11041991 | 0.82 | — | — | |
| SCHEMBL8925656 | 0.73 | — | — | |
| SCHEMBL28861731 | 0.73 | — | — | |
| SCHEMBL3468438 | 0.71 | — | — | |
| SCHEMBL2121293 | 0.71 | — | — | |
| SCHEMBL2121290 | 0.71 | — | — | |
| SCHEMBL9279692 | 0.71 | — | — | |
| SCHEMBL5104966 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0038053-B1 | METHOD FOR THE PREPARATION OF CIS-NONEN-6-YL CHLORIDE | Shin-Etsu Chemical Co., Ltd. (JP) | 1984-03-21 | — | — | EP | claimed |
| US-5169426-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| US-4618362-A | USING CYCLOHEXAN-1,3-DIONE DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1986-10-21 | — | — | US | disclosed |