⚠ 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 SCHEMBL8155217 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL8156671 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8157452 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8161626 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8148653 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8148031 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8160842 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8161756 | 0.79 | — | — | |
| SCHEMBL8163761 | 0.75 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8157217 | 0.75 | — | — |
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 |