⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8046759 | 0.97 | — | — | |
| SCHEMBL6750082 | 0.97 | — | — | |
| SCHEMBL8400154 | 0.89 | KDM4E (0.37) | — | |
| Acetic Acid SCHEMBL31257861 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL1008043 | 0.77 | — | — | |
| SCHEMBL827664 | 0.72 | — | — | |
| SCHEMBL3801704 | 0.67 | — | — | |
| SCHEMBL62569 | 0.67 | — | — | |
| SCHEMBL30572932 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8575689 | 0.65 | — | — |
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-4075252-A | Diazotization-fluorination in a medium of hydrogen fluoride-containing ammonium ions | OLIN CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |