⚠ 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 SCHEMBL8161083 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8156662 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8163049 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8162984 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8156119 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8162635 | 0.81 | — | — | |
| SCHEMBL114835 | 0.80 | — | — | |
| SCHEMBL8749889 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8157217 | 0.77 | — | — | |
| SCHEMBL9063446 | 0.70 | — | — |
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-5770666-A | METALLOCENE | TOSOH CORPORATION (JP) | 1998-06-23 | — | — | US | disclosed |