⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL806005 | 0.82 | — | — | |
| SCHEMBL35704 | 0.82 | CYP1A2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL11597307 | 0.79 | CYP1A2 (0.43) | — | |
| SCHEMBL20803961 | 0.79 | — | — | |
| SCHEMBL7965094 | 0.78 | — | — | |
| SCHEMBL15247997 | 0.75 | — | — | |
| SCHEMBL14328669 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL173217 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL7931175 | 0.74 | CYP1A2 (0.41) | — | |
| SCHEMBL9289906 | 0.72 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3578559-B1 | DYE FOR FLUORESCENT STAINING OF STRATUM CORNEUM, MANNER OF ITS SYNTHESIS AND APPLICATION IN MICROSCOPY, INCLUDING IDENTIFICATION OF ROUTES OF SUBSTANCES PENETRATION TO THE SKIN AND ASSESSMENT OF STRUCTURAL DISORDERS OF THIS LAYER | GDANSKI UNIV MEDYCZNY (PL) | 2021-08-04 | — | — | EP | disclosed |