⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6574977 | 0.87 | DNM1 (0.39) | — | |
| SCHEMBL11597388 | 0.81 | CA1 (0.30) | — | |
| SCHEMBL27683114 | 0.80 | — | — | |
| SCHEMBL11597902 | 0.79 | — | — | |
| SCHEMBL439942 | 0.79 | — | — | |
| SCHEMBL28797362 | 0.77 | HSD17B10 (0.32) | — | |
| SCHEMBL5918599 | 0.77 | — | — | |
| SCHEMBL6375988 | 0.77 | — | — | |
| SCHEMBL5932414 | 0.75 | — | — | |
| SCHEMBL27432252 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4118216-A | HERBICIDES | VELSICOL CHEMICAL COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4097491-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |