⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3714954 | 1.00 | — | — | |
| SCHEMBL364463 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7730368 | 0.97 | — | — | |
| SCHEMBL11331701 | 0.78 | CACNA2D1 (0.40) | — | |
| SCHEMBL4745901 | 0.78 | — | — | |
| SCHEMBL7957995 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL1396082 | 0.77 | — | — | |
| SCHEMBL28811052 | 0.77 | — | — | |
| SCHEMBL30155026 | 0.77 | — | — | |
| SCHEMBL6462670 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1594366-A2 | FAT SUBSTITUTES | Encore Pharmaceuticals, Inc (US) | 2005-11-16 | — | — | EP | disclosed |
| EP-1592415-A2 | THERAPEUTICALLY ACTIVE COMPOUNDS | Encore Pharmaceuticals, Inc (US) | 2005-11-09 | — | — | EP | disclosed |
| US-20040152777-A1 | Therapeutically active compounds | ENCORE PHARMACEUTICALS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004064761-A2 | THERAPEUTICALLY ACTIVE COMPOUNDS | ENCORE PHARMACEUTICALS, INC. (US) | 2004-08-05 | — | — | WO | disclosed |
| US-20040151758-A1 | Fat substitutes | ENCORE PHARMACEUTICALS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004064539-A2 | FAT SUBSTITUTES | ENCORE PHARMACEUTICALS, INC. (US) | 2004-08-05 | — | — | WO | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |