⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL982744 | 0.89 | — | — | |
| Acetic Acid SCHEMBL11440462 | 0.89 | — | — | |
| Formaldehyde SCHEMBL28138569 | 0.88 | — | — | |
| SCHEMBL14855 | 0.88 | — | — | |
| SCHEMBL20661241 | 0.88 | ALDH1A1 (1.00) | — | |
| SCHEMBL322832 | 0.88 | ALDH1A1 (1.00) | — | |
| SCHEMBL1331930 | 0.88 | — | — | |
| Acrolein SCHEMBL8634490 | 0.87 | ALDH1A1 (0.59) | — | |
| Acrylic Acid SCHEMBL17767403 | 0.86 | TSHR (0.67) | — | |
| Acrylic Acid SCHEMBL29514539 | 0.86 | TSHR (0.67) | — |
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-5716458-A | CLEANING BY VAPORIZATION, CONDENSATION OF AN AZEOTROPIC LIQUID MIXTURE; HALOGEN-FREE | NIKON CORPORATION (JP) | 1998-02-10 | — | — | US | disclosed |