⚠ 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 SCHEMBL16681662 | 0.98 | — | — | |
| SCHEMBL1032396 | 0.66 | MEN1 (0.35) | — | |
| SCHEMBL6013334 | 0.66 | MEN1 (0.39) | — | |
| SCHEMBL3713097 | 0.64 | — | — | |
| SCHEMBL6528634 | 0.62 | — | — | |
| SCHEMBL10871381 | 0.62 | — | — | |
| SCHEMBL7485753 | 0.62 | — | — | |
| SCHEMBL9352176 | 0.62 | MEN1 (0.46) | — | |
| SCHEMBL249857 | 0.59 | — | — | |
| SCHEMBL7212924 | 0.54 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5416218-A | Photographic silver halide material | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-05-16 | — | — | US | claimed |
| US-20150376219-A1 | Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods | ZHONG MINGHONG (US) | 2015-12-31 | — | — | US | disclosed |
| EP-2601174-A1 | SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012174459-A2 | USE OF PRESSURE TO ENHANCE IONIC LIQUID PRETREATMENT OF BIOMASS | SANDIA CORPORATION (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012019003-A1 | SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-09 | — | — | WO | disclosed |
| EP-1577281-A1 | Process for preparing combinatorial libraries | Bayer CropScience GmbH (DE) | 2005-09-21 | — | — | EP | disclosed |