⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4954890 | 0.79 | — | — | |
| SCHEMBL2267180 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL9503618 | 0.58 | — | — | |
| SCHEMBL19027634 | 0.49 | — | — | |
| SCHEMBL5605593 | 0.44 | PTK2 (0.58) | — | |
| SCHEMBL22345514 | 0.42 | CASP1 (0.47) | — | |
| SCHEMBL13551944 | 0.41 | DYRK1A (0.48) | — | |
| SCHEMBL1604498 | 0.41 | — | — | |
| SCHEMBL1317980 | 0.41 | — | — | |
| SCHEMBL5172707 | 0.41 | — | — |
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 4 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 |
| US-20070050923-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | WELLA OPERATIONS US, LLC | 2007-03-08 | — | — | US | disclosed |