⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL11812678 | 0.85 | — | — | |
| SCHEMBL15584 | 0.78 | — | — | |
| SCHEMBL15068452 | 0.78 | CA1 (0.46) | — | |
| Bicarbonate SCHEMBL1206563 | 0.77 | CA1 (0.41) | — | |
| SCHEMBL6905712 | 0.76 | — | — | |
| Hydroxyamine SCHEMBL7152009 | 0.76 | — | — | |
| SCHEMBL8168090 | 0.76 | CA1 (0.44) | — | |
| Benzene SCHEMBL3266294 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL4136564 | 0.76 | CA1 (0.44) | — | |
| Methyl Alcohol SCHEMBL6673394 | 0.76 | — | — |
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-5098982-A | Imide chain extender, hardness, solvent resistance | THE B. F. GOODRICH COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| EP-0422500-A2 | Radiation curable thermoplastic polyurethanes | THE B.F. GOODRICH COMPANY (US) | 1991-04-17 | — | — | EP | disclosed |