⚠ 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 SCHEMBL2813394 | 0.98 | — | — | |
| SCHEMBL2807770 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL4004919 | 0.58 | NOS1 (0.45) | — | |
| SCHEMBL2813865 | 0.58 | NPC1 (0.41) | — | |
| SCHEMBL2814361 | 0.58 | — | — | |
| Bromide SCHEMBL2812706 | 0.58 | — | — | |
| SCHEMBL2811975 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL9547056 | 0.57 | HTT (0.49) | — | |
| Bromide SCHEMBL2816225 | 0.57 | NPSR1 (0.53) | — | |
| Bromide SCHEMBL2810282 | 0.57 | NPC1 (0.39) | — |
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-20100240713-A1 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2010-09-23 | — | — | US | claimed |