⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5365100 | 1.00 | — | — | |
| SCHEMBL642752 | 1.00 | — | — | |
| SCHEMBL10972790 | 0.81 | RAB9A (0.41) | — | |
| SCHEMBL9653565 | 0.76 | — | — | |
| SCHEMBL3660259 | 0.76 | — | — | |
| SCHEMBL4259634 | 0.74 | NPC1 (0.41) | — | |
| SCHEMBL4259631 | 0.74 | NPC1 (0.41) | — | |
| SCHEMBL4159093 | 0.72 | — | — | |
| SCHEMBL12756958 | 0.71 | — | — | |
| SCHEMBL22925148 | 0.71 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2366704-B1 | Inhibitors of serine proteases | VERTEX PHARMA (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| US-8119645-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-21 | — | — | US | disclosed |
| US-8119645-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2012-02-21 | — | — | US | disclosed |
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |
| US-20090291969-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | US | disclosed |
| US-20090291969-A1 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | US | disclosed |
| WO-2008006873-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2008-01-17 | — | — | WO | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |
| EP-0136640-A2 | Trichloroacryloyloxime derivatives, process for their preparation and fungicides for agriculture | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-04-10 | — | — | EP | disclosed |