⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30212370 | 1.00 | — | — | |
| Methane SCHEMBL27716533 | 0.96 | L3MBTL1 (0.43) | — | |
| Methylene Chloride SCHEMBL27716532 | 0.94 | CHRNB2 (0.45) | — | |
| SCHEMBL28151649 | 0.92 | L3MBTL1 (0.41) | — | |
| Formic Acid SCHEMBL28079693 | 0.88 | L3MBTL1 (0.42) | — | |
| Formamide SCHEMBL28205622 | 0.88 | L3MBTL1 (0.39) | — | |
| SCHEMBL2012814 | 0.85 | GRM5 (0.49) | — | |
| SCHEMBL1744144 | 0.83 | PIK3CD (0.52) | — | |
| Diaminopyrimidine SCHEMBL28873617 | 0.80 | CDC7 (0.41) | — | |
| SCHEMBL2707449 | 0.78 | CYP19A1 (0.56) | — |
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
Appears in 2844 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119120435-A | Nitrilase mutant capable of reducing selectivity of 5-chloronicotinonitrile and improving selectivity of 6-chloronicotinonitrile and application thereof | 浙江工业大学 | 2024-12-13 | — | — | CN | claimed |
| EP-3675845-B1 | NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS | UNIV MARYLAND (US) | 2024-07-17 | — | — | EP | claimed |
| CN-117778359-A | Nitrilase mutant and method for biocatalysis co-production of chloronicotinic acid | 浙江工业大学 | 2024-03-29 | — | — | CN | claimed |
| CN-114181142-B | Synthesis method of 6- (4-methylpiperazine-1-yl) -4-o-tolylpropionic nicotinamide | 浙江工业大学 | 2023-10-20 | — | — | CN | claimed |
| CN-116254304-A | Application of nitrilase in selective catalysis of 6-chloronicotinyl nitrile to synthesize 6-chloronicotinic acid and mutant | 浙江工业大学 | 2023-06-13 | — | — | CN | claimed |
| CN-115536582-A | Preparation method of medical intermediate 6-chloronicotinonitrile | 浙江工业大学 | 2022-12-30 | — | — | CN | claimed |
| US-20220396572-A1 | Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2022-12-15 | — | — | US | claimed |
| US-11459320-B2 | Deuterated Alpha5 subunit-selective negative allosteric modulators of gamma-aminobutyric acid type A receptors as fast acting treatment for depression and mood disorders | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2022-10-04 | — | — | US | claimed |
| CN-114181142-A | Synthetic method of 6- (4-methylpiperazine-1-yl) -4-o-tolylnicotinamide | 浙江工业大学 | 2022-03-15 | — | — | CN | claimed |
| WO-2019046300-A9 | NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-10-15 | — | — | WO | claimed |
| CN-1036585-C | Process for the preparation of 2-chloro-5-aminomethyl-pyridine | BAYER AG (DE) | 1997-12-03 | — | — | CN | claimed |
| US-5580983-A | Process for the preparation of N-acylated 2-chloro-5-aminomethylpyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-03 | — | — | US | claimed |
| US-5484929-A | PYRIDINES | REILLY INDUSTRIES (US) | 1996-01-16 | — | — | US | claimed |
| EP-0691331-A1 | Process for the preparation of n-acylated 2-chloro-5-aminomethyl-pyridines | BAYER AG (DE) | 1996-01-10 | — | — | EP | claimed |
| EP-0684943-A4 | — | — | 1995-12-20 | — | — | EP | claimed |
| EP-0684943-A1 | CHLORINATION PROCESS | REILLY INDUSTRIES, INC. (US) | 1995-12-06 | — | — | EP | claimed |
| US-5453506-A | Process for the preparation of 2-chloro-5-aminomethyl-pyridine | BAYER AKTIENGESELLSCHAFT (DE) | 1995-09-26 | — | — | US | claimed |
| WO-1994013640-A1 | CHLORINATION PROCESS | REILLY INDUSTRIES, INC. (US) | 1994-06-23 | — | — | WO | claimed |
| CN-1085213-A | The preparation method of 2-chloro-5-aminomethyl-pyridine | BAYER AG (DE) | 1994-04-13 | — | — | CN | claimed |
| EP-0579970-A2 | Process for the production of 2-chloro-5-aminomethylpyridine | BAYER AG (DE) | 1994-01-26 | — | — | EP | claimed |