⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30639426 | 0.78 | KCNH2 (0.59) | — | |
| SCHEMBL1781000 | 0.76 | — | — | |
| SCHEMBL2012943 | 0.76 | — | — | |
| SCHEMBL1782773 | 0.76 | — | — | |
| SCHEMBL2881872 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7007471 | 0.74 | KCNH2 (0.95) | — | |
| Hydrochloric Acid SCHEMBL15668025 | 0.74 | KCNH2 (0.95) | — | |
| Hydrochloric Acid SCHEMBL15668022 | 0.74 | KCNH2 (0.95) | — | |
| SCHEMBL5761715 | 0.72 | — | — | |
| SCHEMBL18711243 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173709-A2 | METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS | Phenomix Corporation (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009094462-A1 | A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES | PHENOMIX CORPORATION (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009091663-A1 | STABLE PHARMACEUTICAL FORMULATION OF A DPP-IV INHIBITOR WITH METFORMIN | PHENOMIX CORPORATION (US) | 2009-07-23 | — | — | WO | disclosed |
| WO-2008109681-A2 | METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS | PHENOMIX CORPORATION (US) | 2008-09-12 | — | — | WO | disclosed |