⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22982398 | 0.73 | — | — | |
| SCHEMBL27225513 | 0.61 | PKM (0.39) | — | |
| SCHEMBL22981789 | 0.59 | — | — | |
| SCHEMBL216451 | 0.57 | PKM (0.37) | — | |
| SCHEMBL5670500 | 0.57 | — | — | |
| SCHEMBL22982388 | 0.56 | — | — | |
| SCHEMBL24173315 | 0.55 | PKM (0.44) | — | |
| SCHEMBL546365 | 0.55 | GRIN2D (0.35) | — | |
| SCHEMBL3221210 | 0.55 | GRIN2D (0.31) | — | |
| SCHEMBL148421 | 0.53 | PKM (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011098985-A1 | METHOD FOR PREPARING ADAMANTYL COMPOUNDS | FINORGA (FR) | 2011-08-18 | — | — | WO | disclosed |
| US-7705033-B2 | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-27 | — | — | US | disclosed |
| WO-2010032129-A1 | METHOD FOR PRODUCING ADAMANTYL COMPOUNDS | FINORGA (FR) | 2010-03-25 | — | — | WO | disclosed |
| US-20090018311-A1 | METHODS AND COMPOUNDS FOR PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | US | disclosed |