⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL473 | 0.82 | — | — | |
| SCHEMBL51847 | 0.82 | — | — | |
| SCHEMBL1006701 | 0.77 | — | — | |
| SCHEMBL11032420 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL6370045 | 0.77 | — | — | |
| SCHEMBL8032455 | 0.77 | — | — | |
| SCHEMBL269431 | 0.77 | — | — | |
| SCHEMBL81313 | 0.71 | — | — | |
| Acetic Acid SCHEMBL1653501 | 0.69 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL9773855 | 0.69 | FFAR3 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109721276-A | Thickener and hydraulic-composition | 信越化学工业株式会社 | 2019-05-07 | — | — | CN | disclosed |