⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10513959 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL11073867 | 0.86 | CYP1A2 (0.35) | — | |
| SCHEMBL11064670 | 0.85 | LMNA (0.31) | — | |
| SCHEMBL11062722 | 0.80 | GABRA1 (0.34) | — | |
| SCHEMBL11071748 | 0.79 | IRAK4 (0.37) | — | |
| SCHEMBL11072576 | 0.76 | ACR (0.38) | — | |
| SCHEMBL10516283 | 0.76 | CYP1A2 (0.37) | — | |
| SCHEMBL11065956 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL11070607 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL11072501 | 0.74 | ALDH1A1 (0.36) | — |
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-4442115-A | ANTI-ASTHMA | MAY & BAKER LIMITED (GB) | 1984-04-10 | — | — | US | claimed |
| US-4442115-A | ANTI-ASTHMA | MAY & BAKER LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |