⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24755 | 0.62 | — | — | |
| SCHEMBL2427022 | 0.62 | ESR1 (1.00) | — | |
| SCHEMBL1252357 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL10975819 | 0.60 | — | — | |
| SCHEMBL1253076 | 0.60 | — | — | |
| SCHEMBL727950 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL11149339 | 0.60 | ESR1 (0.95) | — | |
| SCHEMBL7650956 | 0.60 | — | — | |
| SCHEMBL1253099 | 0.60 | — | — | |
| SCHEMBL1250766 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130115315-A1 | COSMETIC ANTIDANDRUFF COMPOSITION BASED ON ELLAGIC ACID OR A DERIVATIVE THEREOF AND A SECOND, DIFFERENT ACTIVE COMPOUNT IN A SPECIFIC WEIGHT RATIO | L'OREAL (FI) | 2013-05-09 | — | — | US | disclosed |