⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL252965 | 0.89 | — | — | |
| Methylene Chloride SCHEMBL18604011 | 0.65 | — | — | |
| Ethane SCHEMBL26682990 | 0.65 | — | — | |
| SCHEMBL120413 | 0.63 | — | — | |
| SCHEMBL1239830 | 0.63 | — | — | |
| SCHEMBL717 | 0.63 | — | — | |
| SCHEMBL5308881 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL23297299 | 0.60 | — | — | |
| SCHEMBL10883221 | 0.60 | TP53 (0.32) | — | |
| SCHEMBL12501207 | 0.60 | — | — |
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-5006151-A | Herbicides | THE DOW CHEMICAL COMPANY (US) | 1991-04-09 | — | — | US | disclosed |
| US-4929268-A | HERBICIDES | THE DOW CHEMICAL COMPANY (US) | 1990-05-29 | — | — | US | disclosed |