⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24167 | 0.83 | CA2 (0.31) | — | |
| SCHEMBL11588625 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL23162 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL5486602 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL10397111 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL32681422 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL24857317 | 0.70 | — | — | |
| SCHEMBL24857313 | 0.70 | — | — | |
| SCHEMBL928141 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL339957 | 0.69 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605216-B2 | Polymerized acrylonitrile and styrene in solution of polyol and 1,1-Di(tert-amylperoxy)cyclohexane, applying vacuum to separate | BASF CORPORATION (US) | 2009-10-20 | — | — | US | claimed |
| EP-0483974-B1 | Two package ambient temperature curing coating composition | MCWHORTER TECHNOLOGIES INC (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0483974-A1 | Two package ambient temperature curing coating composition | McWHORTER TECHNOLOGIES, Inc. (US) | 1992-05-06 | — | — | EP | disclosed |