⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5848816 | 0.97 | — | — | |
| SCHEMBL16710827 | 0.72 | — | — | |
| SCHEMBL1426627 | 0.55 | — | — | |
| SCHEMBL18574115 | 0.55 | — | — | |
| SCHEMBL7931240 | 0.54 | — | — | |
| SCHEMBL21285334 | 0.53 | — | — | |
| SCHEMBL592665 | 0.50 | — | — | |
| SCHEMBL1791590 | 0.50 | — | — | |
| SCHEMBL576858 | 0.50 | — | — | |
| SCHEMBL1792993 | 0.48 | — | — |
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-1559399-A1 | Use of 2-iminothiolane derivatives in hair care products | L'OREAL (FR) | 2005-08-03 | — | — | EP | claimed |
| EP-1559399-A1 | Use of 2-iminothiolane derivatives in hair care products | L'OREAL (FR) | 2005-08-03 | — | — | EP | disclosed |