⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17830454 | 0.92 | DRD2 (0.34) | — | |
| SCHEMBL13532071 | 0.90 | DRD2 (0.39) | — | |
| SCHEMBL17776632 | 0.84 | CYP1A2 (0.35) | — | |
| SCHEMBL105303 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL10644215 | 0.83 | NPSR1 (0.32) | — | |
| SCHEMBL21322089 | 0.80 | — | — | |
| SCHEMBL17788465 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL17776630 | 0.78 | EPHX1 (0.31) | — | |
| SCHEMBL17776641 | 0.77 | PIK3CD (0.41) | — | |
| SCHEMBL24821709 | 0.77 | DRD2 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023168367-A1 | QUINOLINE cGAS ANTAGONIST COMPOUNDS | IMMUNESENSOR THERAPEUTICS, INC. (US) | 2023-09-07 | — | — | WO | disclosed |
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| WO-2023028534-A1 | INHIBITORS OF NLRP3 | PTC THERAPEUTICS, INC. (US) | 2023-03-02 | — | — | WO | disclosed |
| EP-4026835-A2 | PD-1/PD-L1 INHIBITORS | Gilead Sciences, Inc. (US) | 2022-07-13 | — | — | EP | disclosed |
| US-20210323922-A1 | PD-1/PD-L1 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2021-10-21 | — | — | US | disclosed |
| US-20150322002-A1 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2015-11-12 | — | — | US | disclosed |
| WO-2014008458-A2 | N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2014-01-09 | — | — | WO | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |