⚠ 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 SCHEMBL997095 | 0.92 | MAPK1 (0.32) | — | |
| Methyl Alcohol SCHEMBL17200864 | 0.86 | — | — | |
| SCHEMBL7877503 | 0.86 | — | — | |
| SCHEMBL31741797 | 0.86 | — | — | |
| SCHEMBL107536 | 0.86 | — | — | |
| SCHEMBL4273373 | 0.86 | — | — | |
| Bromide SCHEMBL6350036 | 0.84 | — | — | |
| SCHEMBL10727948 | 0.81 | — | — | |
| Phthalic Acid SCHEMBL414513 | 0.80 | TDP1 (0.45) | — | |
| SCHEMBL1416852 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421267-A2 | Synergetic triazole compounds | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |