⚠ 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 SCHEMBL8779559 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6469911 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8779549 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8779513 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL5087462 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6471583 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8171329 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7752437 | 0.77 | — | — | |
| SCHEMBL4341693 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6471602 | 0.77 | — | — |
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-20020019504-A1 | Stereospecific; low molecular weight | MITSUI CHEMICALS, INC. (JP) | 2002-02-14 | — | — | US | disclosed |