⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7124536 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL7125562 | 0.84 | — | — | |
| Acetic Acid SCHEMBL16110535 | 0.77 | CA1 (0.44) | — | |
| SCHEMBL7132266 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL7127887 | 0.75 | CA2 (0.30) | — | |
| L-Lactic Acid SCHEMBL7041762 | 0.73 | TP53 (0.35) | — | |
| SCHEMBL7129621 | 0.72 | — | — | |
| Methacrylic Acid SCHEMBL1359931 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL3682411 | 0.69 | — | — | |
| SCHEMBL28807497 | 0.69 | — | — |
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-6670002-B1 | Sheet which comprises support bearing ink-receiving layer comprising pigment and/or colloidal particles and binder resin and containing anti-yellowing effective amount of at least one organic titanium compound | MITSUBISHI PAPER MILLS LIMITED (JP) | 2003-12-30 | — | — | US | disclosed |