⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1294122 | 0.97 | — | — | |
| SCHEMBL2152930 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL10591886 | 0.95 | — | — | |
| Succinic Acid SCHEMBL1134637 | 0.86 | LMNA (0.48) | — | |
| SCHEMBL1905372 | 0.78 | TSHR (0.58) | — | |
| SCHEMBL8185995 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL11561333 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL14700403 | 0.77 | — | — | |
| SCHEMBL446905 | 0.77 | — | — | |
| SCHEMBL14085485 | 0.77 | TSHR (0.42) | — |
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-5157130-A | Adding a monochloroaliphatic alcohol, a copper compound and a zinc compound; heat resistance; storage stability | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-10-20 | — | — | US | disclosed |