⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14496280 | 0.58 | — | — | |
| SCHEMBL13567194 | 0.56 | — | — | |
| SCHEMBL21273791 | 0.56 | — | — | |
| SCHEMBL7163137 | 0.52 | — | — | |
| Isopropylamine SCHEMBL13415136 | 0.49 | — | — | |
| SCHEMBL1107772 | 0.46 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.45 | — | — | |
| SCHEMBL10761734 | 0.45 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.45 | — | — | |
| Isobutane SCHEMBL28758557 | 0.45 | — | — |
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-0487404-B1 | External dermatological composition | HAYASHIBARA BIOCHEM LAB (JP) | 1995-10-11 | — | — | EP | disclosed |
| EP-0487404-A1 | External dermatological composition | KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) | 1992-05-27 | — | — | EP | disclosed |