⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4300333 | 1.00 | — | — | |
| SCHEMBL5708009 | 1.00 | — | — | |
| Pyridine SCHEMBL3795079 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL65488 | 0.83 | — | — | |
| SCHEMBL4602878 | 0.83 | BCHE (0.30) | — | |
| SCHEMBL2993842 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL17801685 | 0.79 | — | — | |
| Fluoride Ion SCHEMBL7591930 | 0.79 | — | — | |
| Perchlorate SCHEMBL8715849 | 0.78 | — | — | |
| Boric Acid SCHEMBL29172223 | 0.78 | — | — |
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-20160280804-A1 | Halogenated Polysaccharides | MANNINGTON MILLS, INC. (US) | 2016-09-29 | — | — | US | disclosed |
| US-5473065-A | Useful as electrophilic fluorinating agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-12-05 | — | — | US | disclosed |