⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4653045 | 0.87 | CES2 (0.36) | — | |
| SCHEMBL4654199 | 0.69 | NPSR1 (0.35) | — | |
| SCHEMBL9296730 | 0.69 | — | — | |
| SCHEMBL800709 | 0.67 | — | — | |
| SCHEMBL4834771 | 0.67 | — | — | |
| SCHEMBL5421 | 0.56 | — | — | |
| SCHEMBL4203062 | 0.56 | — | — | |
| SCHEMBL131270 | 0.54 | — | — | |
| SCHEMBL240851 | 0.52 | ALDH1A1 (0.36) | — | |
| SCHEMBL8626702 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1986598-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | Merck Patent GmbH (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093252-A1 | UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE | MERCK PATENT GMBH (DE) | 2007-08-23 | — | — | WO | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |