⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2802433 | 0.80 | — | — | |
| SCHEMBL94257 | 0.78 | — | — | |
| SCHEMBL21647334 | 0.77 | — | — | |
| SCHEMBL5140658 | 0.76 | BRD4 (0.33) | — | |
| Sulfuric Acid SCHEMBL28298162 | 0.74 | BRD4 (0.34) | — | |
| Sulfuric Acid SCHEMBL28298163 | 0.74 | BRD4 (0.34) | — | |
| SCHEMBL10660435 | 0.72 | LMNA (0.35) | — | |
| Sulfuric Acid SCHEMBL10757867 | 0.72 | BRD4 (0.35) | — | |
| Acrylamide SCHEMBL28423229 | 0.71 | LMNA (0.36) | — | |
| Hydrochloric Acid SCHEMBL6833562 | 0.71 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200138695-A1 | COSMETIC COMPOSITION | ROHTO PHARMACEUTICAL CO., LTD. (JP) | 2020-05-07 | — | — | US | disclosed |
| EP-3616683-A1 | COSMETIC COMPOSITION | Rohto Pharmaceutical Co., Ltd. (JP) | 2020-03-04 | — | — | EP | disclosed |