⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17874213 | 0.86 | — | — | |
| SCHEMBL22341177 | 0.80 | NOS3 (0.35) | — | |
| SCHEMBL24393469 | 0.78 | EPHX2 (0.44) | — | |
| Cyanide SCHEMBL28145153 | 0.78 | — | — | |
| SCHEMBL20221364 | 0.72 | — | — | |
| SCHEMBL20926911 | 0.72 | SLC6A2 (0.30) | — | |
| SCHEMBL21401616 | 0.72 | EPHX2 (0.31) | — | |
| SCHEMBL24968152 | 0.71 | — | — | |
| SCHEMBL9157198 | 0.69 | — | — | |
| SCHEMBL5730671 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932245-B2 | Spirocyclopropyl amides and acids and their therapeutic applications | ABBOTT LABORATORIES (US) | 2011-04-26 | — | — | US | disclosed |
| EP-1558230-B1 | SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS | ABBOTT LAB (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-1558230-A1 | SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS | Abbott Laboratories (US) | 2005-08-03 | — | — | EP | disclosed |
| US-20040204396-A1 | Spirocyclopropyl amides and acids and their therapeutic applications | ABBVIE INC. | 2004-10-14 | — | — | US | disclosed |
| WO-2004037240-A1 | SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS | ABBOTT LABORATORIES (US) | 2004-05-06 | — | — | WO | disclosed |
| US-20040077616-A1 | Spirocyclopropyl amides and acids and their therapeutic applications | ABBOTT LABORATORIES | 2004-04-22 | — | — | US | disclosed |