⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16057429 | 0.56 | — | — | |
| SCHEMBL9710464 | 0.53 | — | — | |
| SCHEMBL2777389 | 0.51 | SELL (0.35) | — | |
| SCHEMBL133762 | 0.51 | — | — | |
| SCHEMBL28919623 | 0.50 | — | — | |
| SCHEMBL11233477 | 0.46 | BACE1 (0.31) | — | |
| SCHEMBL338346 | 0.45 | ALDH1A1 (0.57) | — | |
| SCHEMBL29373601 | 0.45 | ALDH1A1 (0.57) | — | |
| SCHEMBL4584646 | 0.43 | — | — | |
| SCHEMBL22750863 | 0.43 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5567683-A | Substituted lactose and lactosamine derivatives as cell adhesion inhibitors | GLYCOMED INCORPORATED (US) | 1996-10-22 | — | — | US | disclosed |
| EP-0614367-A4 | SUBSTITUTED LACTOSE AND LACTOSAMINE DERIVATIVES AS CELL ADHESION INHIBITORS. | GLYCOMED INC (US) | 1996-06-26 | — | — | EP | disclosed |
| EP-0614367-A1 | SUBSTITUTED LACTOSE AND LACTOSAMINE DERIVATIVES AS CELL ADHESION INHIBITORS | GLYCOMED INCORPORATED (US) | 1994-09-14 | — | — | EP | disclosed |
| US-5326752-A | Substituted lactose and lactosamine derivatives as cell adhesion inhibitors | GLYCOMED INCORPORATED (US) | 1994-07-05 | — | — | US | disclosed |
| EP-0247381-B1 | 5-FLUROROURACIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-08-04 | — | — | EP | disclosed |
| WO-1993010796-A1 | SUBSTITUTED LACTOSE AND LACTOSAMINE DERIVATIVES AS CELL ADHESION INHIBITORS | GLYCOMED, INC. (US) | 1993-06-10 | — | — | WO | disclosed |
| US-5047521-A | Anticarcinogenic agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0247381-A2 | 5-flurorouracil derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-12-02 | — | — | EP | disclosed |