⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19770803 | 1.00 | — | — | |
| SCHEMBL3367411 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6162127 | 0.98 | FAAH (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL2496572 | 0.86 | DPP8 (0.38) | — | |
| SCHEMBL7276777 | 0.81 | DPP4 (0.46) | — | |
| SCHEMBL7276787 | 0.81 | DPP4 (0.46) | — | |
| SCHEMBL22952874 | 0.81 | DPP4 (0.46) | — | |
| SCHEMBL179570 | 0.79 | — | — | |
| SCHEMBL24304104 | 0.78 | — | — | |
| SCHEMBL18780480 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |
| WO-2013099041-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | 富士フイルム株式会社 (JP) | 2013-07-04 | — | — | WO | disclosed |
| US-5484930-A | Chiral ethyl [6-amino-4-[[12-(methoxymethylamino)-1-methyl-2-oxoethyl]amino]-5-nitro-2-pyridyl]carbamate | WARNER-LAMBERT COMPANY (US) | 1996-01-16 | — | — | US | disclosed |
| EP-0625980-A1 | PROCESS FOR PREPARING CHIRAL ETHYL (5-AMINO-1,2-DIHYDRO-2-METHYL-3-PHENYLPYRIDO 3,4-b]PYRAZIN-7-YL)CARBAMATE | WARNER-LAMBERT COMPANY (US) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993016078-A1 | PROCESS FOR PREPARING CHIRAL ETHYL (5-AMINO-1,2-DIHYDRO-2-METHYL-3-PHENYLPYRIDO[3,4-b]PYRAZIN-7-YL)CARBAMATE | WARNER-LAMBERT COMPANY (US) | 1993-08-19 | — | — | WO | disclosed |