⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3869449 | 0.72 | ALDH1A1 (0.38) | — | |
| Guanidine SCHEMBL27275385 | 0.71 | GAA (0.41) | — | |
| SCHEMBL3970722 | 0.71 | DGAT1 (0.36) | — | |
| Thiourea SCHEMBL5840778 | 0.69 | DGAT1 (0.34) | — | |
| SCHEMBL10033375 | 0.69 | — | — | |
| SCHEMBL104438 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL31278488 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL21008320 | 0.67 | DGAT1 (0.37) | — | |
| SCHEMBL13525471 | 0.67 | — | — | |
| SCHEMBL17174979 | 0.67 | ALDH1A1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019075259-A1 | MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS | CORNELL UNIVERSITY (US) | 2019-04-18 | — | — | WO | disclosed |
| CN-107805218-A | A kind of method for preparing 4 Boc amino piperidines | 上海皓伯化工科技有限公司 | 2018-03-16 | — | — | CN | disclosed |
| US-20080312208-A1 | Pyridine Analogues | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |
| EP-1904474-A1 | NEW PYRIDINE ANALOGUES | AstraZeneca AB (SE) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008140-A1 | NEW PYRIDINE ANALOGUES | ASTRAZENECA AB (SE) | 2007-01-18 | — | — | WO | disclosed |
| US-4467101-A | CEPHALOSPORIN PRECURSORS | CIBA-GEIGY CORPORATION (US) | 1984-08-21 | — | — | US | disclosed |
| US-4374134-A | Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof | CIBA-GEIGY CORPORATION (US) | 1983-02-15 | — | — | US | disclosed |