⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9541627 | 1.00 | — | — | |
| SCHEMBL8976777 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9137066 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9137070 | 0.98 | — | — | |
| SCHEMBL20669456 | 0.74 | CHRM2 (0.35) | — | |
| SCHEMBL10532894 | 0.73 | CHRM2 (0.37) | — | |
| SCHEMBL11369228 | 0.73 | CHRM2 (0.34) | — | |
| SCHEMBL11529797 | 0.73 | CHRM2 (0.37) | — | |
| SCHEMBL10818681 | 0.71 | — | — | |
| SCHEMBL10745908 | 0.70 | CHRM2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5508412-A | USED IN FORMATION OF UNSATURATED CYCLOHEXENONE OXIME ETHERS; HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |
| US-5407896-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-04-18 | — | — | US | disclosed |
| US-5403812-A | Also containing a sulfur-containing ring; control of grasses but selective of broad-leaved and monocotyledonous crops | BASF AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |