⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5950878 | 0.88 | FFAR3 (0.39) | — | |
| Ethaneperoxoic Acid SCHEMBL25208314 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL3435 | 0.83 | — | — | |
| Bicarbonate SCHEMBL5950923 | 0.82 | EPHX1 (0.38) | — | |
| Acetone SCHEMBL7082289 | 0.82 | EPHX1 (0.57) | — | |
| Alcohol SCHEMBL1284709 | 0.80 | — | — | |
| SCHEMBL28326396 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL22282996 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL3301146 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL1156994 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030118520-A1 | Cleaning composition for dental prostheses | CLARIANT GMBH (DE) | 2003-06-26 | — | — | US | disclosed |
| US-20020122775-A1 | Cleaning compostion for dental prostheses | CLARIANT GMBH | 2002-09-05 | — | — | US | disclosed |