⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1165283 | 1.00 | — | — | |
| Bromide SCHEMBL150934 | 0.86 | — | — | |
| Fluoride Ion SCHEMBL152352 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL42633 | 0.86 | — | — | |
| SCHEMBL127358 | 0.86 | — | — | |
| Iodide SCHEMBL451465 | 0.86 | — | — | |
| SCHEMBL5361808 | 0.86 | — | — | |
| Fluoride Ion SCHEMBL8567278 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8373829 | 0.80 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL6112720 | 0.80 | — | — |
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-6265537-B1 | CYCLIC COMPOUNDS; NEMATOCIDES FOR HUMANS AND ANIMALS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-24 | — | — | US | disclosed |