⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4250864 | 0.82 | PDPK1 (0.38) | — | |
| SCHEMBL3178005 | 0.81 | NPC1 (0.34) | — | |
| SCHEMBL3756193 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL3750058 | 0.76 | PARP14 (0.34) | — | |
| SCHEMBL4250094 | 0.75 | DYRK1A (0.48) | — | |
| SCHEMBL3752317 | 0.71 | HTR2C (0.39) | — | |
| SCHEMBL4253113 | 0.70 | NPC1 (0.53) | — | |
| SCHEMBL3744443 | 0.69 | THRB (0.35) | — | |
| SCHEMBL3753729 | 0.68 | LMNA (0.36) | — | |
| SCHEMBL15327730 | 0.68 | PARP1 (0.34) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | claimed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| US-20060116368-A1 | 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | US | claimed |
| WO-2006058338-A2 | 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | WO | claimed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | claimed |
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | disclosed |
| US-8367667-B2 | Pyrrole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | disclosed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20060116368-A1 | 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | US | disclosed |
| WO-2006058338-A2 | 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | WO | disclosed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | disclosed |