⚠ 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 SCHEMBL8670962 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL8671009 | 0.77 | — | — | |
| SCHEMBL8670752 | 0.66 | HRH3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8666471 | 0.65 | HRH3 (0.33) | — | |
| SCHEMBL9748669 | 0.61 | HTR6 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8667760 | 0.58 | MAPT (0.34) | — | |
| SCHEMBL8560026 | 0.55 | VDR (0.41) | — | |
| SCHEMBL2189993 | 0.54 | ATP4A (0.60) | — | |
| SCHEMBL9089968 | 0.54 | ALDH1A1 (0.44) | — | |
| SCHEMBL4066331 | 0.53 | PSEN1 (0.32) | — |
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-5750699-A | HALOGENATING OF CORRESPONDING COMPOUND | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |