⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30141488 | 1.00 | — | — | |
| SCHEMBL27984770 | 0.81 | — | — | |
| SCHEMBL16180508 | 0.81 | — | — | |
| SCHEMBL1975275 | 0.81 | — | — | |
| SCHEMBL2493545 | 0.80 | CFTR (0.58) | — | |
| Bromide SCHEMBL16227605 | 0.79 | CFTR (0.52) | — | |
| SCHEMBL2907637 | 0.79 | CFTR (0.63) | — | |
| Hydrochloric Acid SCHEMBL27777635 | 0.79 | CFTR (0.52) | — | |
| SCHEMBL3887188 | 0.79 | CFTR (0.62) | — | |
| Hydrochloric Acid SCHEMBL6177191 | 0.78 | CFTR (0.61) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131271-A1 | PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2023-07-13 | — | — | WO | disclosed |
| EP-0934308-B1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6737429-B2 | TREATMENT OF HIV MEDIATED DISEASES. | HOFFMANN-LA ROCHE INC. | 2004-05-18 | — | — | US | disclosed |
| EP-1417202-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-05-12 | — | — | EP | disclosed |
| EP-1301481-A1 | PYRROLE DERIVATIVES FOR TREATING AIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-16 | — | — | EP | disclosed |
| US-20030069276-A1 | Amino piperidine derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-04-10 | — | — | US | disclosed |
| WO-2002079186-A2 | AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-10 | — | — | WO | disclosed |
| US-6437138-B1 | 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS | ABBOTT LABORATORIES | 2002-08-20 | — | — | US | disclosed |
| US-20020032221-A1 | Pyrrole derivatives | ROCHE PRODUCTS LIMITED (GB) | 2002-03-14 | — | — | US | disclosed |
| WO-2002002524-A1 | PYRROLE DERIVATIVES FOR TREATING AIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-10 | — | — | WO | disclosed |
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| US-6127386-A | STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS | ABBOTT LABORATORIES (US) | 2000-10-03 | — | — | US | disclosed |
| US-5948793-A | 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release | ABBOTT LABORATORIES (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0934308-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |
| US-5914328-A | CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS | ABBOTT LABORATORIES (US) | 1999-06-22 | — | — | US | disclosed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | disclosed |
| US-5629325-A | TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS | ABBOTT LABORATORIES (US) | 1997-05-13 | — | — | US | disclosed |