⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28688857 | 0.81 | TP53 (0.37) | — | |
| SCHEMBL30477999 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL28119426 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL462373 | 0.72 | TP53 (0.46) | — | |
| SCHEMBL27714617 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL6632566 | 0.72 | — | — | |
| SCHEMBL7108948 | 0.72 | APP (0.46) | — | |
| SCHEMBL1270580 | 0.70 | TP53 (0.56) | — | |
| SCHEMBL27694688 | 0.70 | CA1 (0.30) | — | |
| SCHEMBL31081803 | 0.70 | TP53 (0.36) | — |
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-0889056-B1 | Process for making a cyclodextrin | PFIZER PROD INC (US) | 2006-04-12 | — | — | EP | disclosed |
| US-6153746-A | TREATING AN UNSUBSTITUTED CYCLODEXTRIN STARTING MATERIAL WITH AN ALKYL SULTONE IN THE PRESENCE OF A BASE, THE BASE IS ADDED IN A STEPWISE, PH CONTROLLED MANNER | PFIZER INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0889056-A2 | Process for making a cyclodextrin | Pfizer Products Inc. (US) | 1999-01-07 | — | — | EP | disclosed |