⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4948850 | 0.72 | — | — | |
| SCHEMBL4955408 | 0.69 | CDK1 (0.32) | — | |
| SCHEMBL4953404 | 0.66 | ADORA2A (0.33) | — | |
| SCHEMBL4908021 | 0.56 | — | — | |
| SCHEMBL22296530 | 0.48 | — | — | |
| SCHEMBL4909617 | 0.46 | — | — | |
| SCHEMBL7074320 | 0.46 | — | — | |
| SCHEMBL2502618 | 0.46 | — | — | |
| SCHEMBL10414868 | 0.44 | NQO1 (0.50) | — | |
| SCHEMBL1024624 | 0.44 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7341606-B2 | Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits | THE PROCTER & GAMBLE COMPANY (US) | 2008-03-11 | — | — | US | claimed |
| US-20070050923-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | WELLA OPERATIONS US, LLC | 2007-03-08 | — | — | US | claimed |
| US-7341606-B2 | Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits | THE PROCTER & GAMBLE COMPANY (US) | 2008-03-11 | — | — | US | disclosed |