⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2969026 | 0.71 | ESR1 (0.41) | — | |
| SCHEMBL3681207 | 0.66 | AHR (0.37) | — | |
| SCHEMBL2701753 | 0.66 | IDO1 (0.53) | — | |
| SCHEMBL484053 | 0.62 | NPC1 (0.47) | — | |
| SCHEMBL7976993 | 0.62 | BCHE (0.32) | — | |
| SCHEMBL14797024 | 0.62 | — | — | |
| SCHEMBL646937 | 0.61 | RAB9A (0.47) | — | |
| SCHEMBL7366765 | 0.61 | GAA (0.34) | — | |
| SCHEMBL16731968 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL4721004 | 0.58 | EGFR (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008075152-A1 | 1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION | PFIZER PRODUCTS INC. (US) | 2008-06-26 | — | — | WO | disclosed |
| EP-1615893-A1 | 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS | Pfizer Products Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1615894-A2 | 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES | Pfizer Products Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1615643-A1 | 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS | Pfizer Products Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004089370-A1 | 4-PHENYL-PIPERIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF OPIOID RECEPTORS | PFIZER PRODUCTS INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| WO-2004089908-A2 | 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2004-10-21 | — | — | WO | disclosed |
| WO-2004089909-A1 | 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2004-10-21 | — | — | WO | disclosed |