⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17222197 | 0.79 | NPC1 (0.40) | — | |
| SCHEMBL830410 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL422266 | 0.74 | — | — | |
| SCHEMBL14417927 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL459817 | 0.72 | — | — | |
| SCHEMBL2877134 | 0.72 | — | — | |
| SCHEMBL9070454 | 0.72 | — | — | |
| SCHEMBL304027 | 0.72 | — | — | |
| SCHEMBL2056395 | 0.72 | — | — | |
| SCHEMBL14625851 | 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 |
|---|---|---|---|---|---|---|---|
| US-10730850-B2 | Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-08-04 | — | — | US | disclosed |
| US-20190084959-A1 | PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-03-21 | — | — | US | disclosed |
| EP-2847196-B1 | NEW 2,3-DIHYDRO-FURO[2,3-C]PYRIDINES, THEIR USE AS MODULATORS OF THE G-PROTEIN-COUPLED RECEPTOR GPR119 AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | BOEHRINGER INGELHEIM INT (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2012168315-A1 | SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-12-13 | — | — | WO | disclosed |