⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34293 | 0.76 | — | — | |
| SCHEMBL8199996 | 0.71 | TSHR (0.47) | — | |
| Hypophosphorous Acid SCHEMBL9464117 | 0.71 | — | — | |
| Iodide SCHEMBL394054 | 0.71 | — | — | |
| Bromide SCHEMBL636397 | 0.71 | — | — | |
| Water SCHEMBL2003588 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL965724 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL4618004 | 0.71 | — | — | |
| Butane SCHEMBL18419596 | 0.69 | — | — | |
| Butane SCHEMBL17364019 | 0.69 | CES2 (0.33) | — |
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-5181988-A | Hypophosphorous acid or salt | ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) | 1993-01-26 | — | — | US | disclosed |