⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28758501 | 1.00 | TSHR (0.40) | — | |
| SCHEMBL27724 | 0.95 | — | — | |
| SCHEMBL6956478 | 0.95 | — | — | |
| SCHEMBL14127313 | 0.95 | — | — | |
| SCHEMBL6955078 | 0.95 | — | — | |
| SCHEMBL9939660 | 0.91 | — | — | |
| SCHEMBL11294863 | 0.91 | — | — | |
| Magnesium SCHEMBL29988268 | 0.91 | — | — | |
| SCHEMBL113026 | 0.91 | — | — | |
| SCHEMBL28034725 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1047614-C | Aqueous functional fluid having improved resistance to micro-organisms | CINCINNATI MILACRON INC (US) | 1999-12-22 | — | — | CN | disclosed |
| CN-1111674-A | Aqueous functional fluid having improved resistance to micro-organisms | CINCINNATI MILACRON INC (US) | 1995-11-15 | — | — | CN | disclosed |