⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10010502 | 0.85 | — | — | |
| SCHEMBL4228441 | 0.83 | — | — | |
| SCHEMBL11545811 | 0.81 | — | — | |
| SCHEMBL6218777 | 0.81 | — | — | |
| SCHEMBL1455114 | 0.81 | — | — | |
| SCHEMBL11714313 | 0.81 | — | — | |
| SCHEMBL6588193 | 0.81 | — | — | |
| SCHEMBL9869600 | 0.81 | — | — | |
| SCHEMBL23660570 | 0.76 | — | — | |
| SCHEMBL12778014 | 0.76 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4988818-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |