⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3328080 | 1.00 | — | — | |
| SCHEMBL1644130 | 1.00 | — | — | |
| 2-Oxoisohexanoate SCHEMBL7185279 | 0.85 | CA2 (0.37) | — | |
| Valine SCHEMBL22070191 | 0.83 | SLC7A5 (0.58) | — | |
| SCHEMBL13011645 | 0.80 | CACNA2D1 (0.38) | — | |
| SCHEMBL6439560 | 0.80 | SLC22A6 (0.43) | — | |
| SCHEMBL6439563 | 0.80 | SLC22A6 (0.43) | — | |
| SCHEMBL7531470 | 0.79 | CACNA2D1 (0.36) | — | |
| SCHEMBL28054325 | 0.79 | SLC22A6 (0.50) | — | |
| SCHEMBL10406061 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889660-B2 | Methods for treating obesity or an obesity related condition | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |
| US-20130072555-A1 | COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES | CASE WESTERN RESERVE UNIVERSITY (US) | 2013-03-21 | — | — | US | disclosed |
| US-8338394-B2 | Methods for treating metabolic diseases | CASE WESTERN RESERVE UNIVERSITY (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100135977-A1 | COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-06-03 | — | — | US | disclosed |
| WO-2008063768-A2 | COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES | CASE WESTERN RESERVE UNIVERSITY (US) | 2008-05-29 | — | — | WO | disclosed |