⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1181969 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL8027284 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL22437 | 0.75 | TSHR (0.56) | — | |
| SCHEMBL10521475 | 0.74 | TSHR (0.43) | — | |
| SCHEMBL8765740 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL6913733 | 0.73 | — | — | |
| SCHEMBL25195648 | 0.72 | — | — | |
| SCHEMBL7801141 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL21433579 | 0.72 | — | — | |
| SCHEMBL20448113 | 0.72 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810212-B1 | Organic peroxide stabilization with alpha-hydroxyalkyl peroxides | CK WITCO CORP (US) | 2000-04-05 | — | — | EP | claimed |
| EP-0810212-A2 | Organic peroxide stabilization with alpha-hydroxyalkyl peroxides | WITCO CORPORATION (US) | 1997-12-03 | — | — | EP | claimed |
| US-5654463-A | Organic peroxide stabilization with α-hydroxyalkyl peroxides | WITCO CORPORATION (US) | 1997-08-05 | — | — | US | claimed |