⚠ 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL5828707 | 0.79 | BRD4 (0.35) | — | |
| SCHEMBL2905598 | 0.78 | CA1 (0.34) | — | |
| SCHEMBL5858637 | 0.76 | CA2 (0.36) | — | |
| SCHEMBL5163800 | 0.76 | — | — | |
| SCHEMBL5160645 | 0.75 | — | — | |
| Potassium Ion SCHEMBL1535024 | 0.72 | — | — | |
| SCHEMBL20395714 | 0.72 | — | — | |
| Lithium Ion SCHEMBL20395708 | 0.72 | — | — | |
| SCHEMBL3831739 | 0.70 | PTPN1 (0.31) | — | |
| SCHEMBL3869319 | 0.70 | ESR1 (0.33) | — |
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-20080131811-A1 | Photoactive Compounds | MERCK PATENT GMBH (DE) | 2008-06-05 | — | — | US | claimed |
| US-7491482-B2 | Photoactive compounds | AZ ELECTRONIC MATERIALS USA CORP. (US) | 2009-02-17 | — | — | US | disclosed |
| US-20080131811-A1 | Photoactive Compounds | MERCK PATENT GMBH (DE) | 2008-06-05 | — | — | US | disclosed |