⚠ 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 SCHEMBL6330368 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6330489 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6334458 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6339106 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6340358 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8447440 | 0.69 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL6332813 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6334484 | 0.66 | — | — | |
| SCHEMBL10390027 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6330360 | 0.64 | — | — |
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-20020013433-A1 | Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-01-31 | — | — | US | disclosed |