⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742797 | 0.97 | FDPS (0.36) | — | |
| SCHEMBL4161986 | 0.77 | CHRM2 (0.33) | — | |
| SCHEMBL1750437 | 0.77 | MAPT (0.39) | — | |
| SCHEMBL6398141 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL6658943 | 0.74 | GPR119 (0.32) | — | |
| SCHEMBL26091887 | 0.71 | FDPS (0.35) | — | |
| SCHEMBL11149330 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL4430883 | 0.69 | FDPS (0.39) | — | |
| SCHEMBL11882679 | 0.69 | FDPS (0.34) | — | |
| SCHEMBL5917521 | 0.67 | — | — |
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-3980427-A | MONOAZO OR DISAZO DYE, HALOGENATED HYDROCARBON | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-14 | — | — | US | claimed |
| US-20070219210-A1 | Amidopyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-20 | — | — | US | disclosed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |