⚠ 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 SCHEMBL6338577 | 0.83 | — | — | |
| SCHEMBL7199312 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6337998 | 0.75 | — | — | |
| SCHEMBL6356483 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6340039 | 0.72 | — | — | |
| Bromide SCHEMBL1539663 | 0.71 | — | — | |
| Fluoride SCHEMBL1539695 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL12486023 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1539746 | 0.71 | — | — | |
| SCHEMBL27714974 | 0.70 | ACHE (0.34) | — |
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-20030171212-A1 | Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer | SUMITOMO CHEMICAL COMPANY, LIMITED | 2003-09-11 | — | — | US | disclosed |