⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8027800 | 0.66 | CA1 (0.30) | — | |
| SCHEMBL17028996 | 0.57 | — | — | |
| SCHEMBL17757002 | 0.56 | — | — | |
| SCHEMBL24087536 | 0.53 | ALDH1A1 (0.41) | — | |
| SCHEMBL22036310 | 0.45 | — | — | |
| SCHEMBL23733953 | 0.44 | — | — | |
| SCHEMBL7174328 | 0.41 | — | — | |
| Cyclopentane SCHEMBL4362717 | 0.38 | TSHR (0.30) | — | |
| Tert-Butanol SCHEMBL27553356 | 0.38 | — | — | |
| SCHEMBL23668123 | 0.38 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |