⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28634420 | 0.80 | — | — | |
| SCHEMBL7779194 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL7107867 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL29059654 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL70932 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL2961412 | 0.69 | — | — | |
| SCHEMBL7860604 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL10716994 | 0.68 | ALOX15 (0.36) | — | |
| SCHEMBL9750785 | 0.67 | RIPK1 (0.35) | — | |
| SCHEMBL6005469 | 0.67 | MAPK1 (0.33) | — |
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-5856586-A | REACTING 2,5-DIMETHYL-1,5-HEXADIENE WITH HYDROGEN PEROXIDE IN ACIDICC MEDIUM | PEROXID-CHEMIE GMBH (DE) | 1999-01-05 | — | — | US | claimed |
| US-20040048967-A1 | Process for producing thermoplastic resin composition and thermoplastic resin composition obtained thereby | CALP CORPORATION (JP) | 2004-03-11 | — | — | US | disclosed |