⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13775942 | 0.93 | FKBP5 (0.34) | — | |
| SCHEMBL8204032 | 0.85 | — | — | |
| SCHEMBL8346675 | 0.80 | OR51E2 (0.31) | — | |
| SCHEMBL21899203 | 0.79 | FKBP5 (0.31) | — | |
| SCHEMBL1000742 | 0.74 | FKBP5 (0.33) | — | |
| SCHEMBL4565785 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4401074 | 0.72 | — | — | |
| SCHEMBL3518015 | 0.71 | OR51E2 (0.37) | — | |
| SCHEMBL28888013 | 0.68 | — | — | |
| SCHEMBL2505718 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3847159-A2 | ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE | Magenta Therapeutics, Inc. (US) | 2021-07-14 | — | — | EP | claimed |
| US-20230139111-A1 | DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) | 2023-05-04 | — | — | US | disclosed |
| US-20230128889-A1 | REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS | Université Libre de Bruxelles (BE) | 2023-04-27 | — | — | US | disclosed |
| US-8202858-B2 | Vasopressin V1a antagonists | VANTIA LIMITED (GB) | 2012-06-19 | — | — | US | disclosed |
| US-20120101082-A1 | VASOPRESSIN V1A ANTAGONISTS | BATT ANDRZEJ ROMAN (GB) | 2012-04-26 | — | — | US | disclosed |
| US-20090029965-A1 | Vasopressin V1a Antagonists | FERRING B.V. (NL) | 2009-01-29 | — | — | US | disclosed |
| US-20080275026-A1 | Benzamide derivatives as oxytocin agonists and vasopressin antagonists | FERRING B.V. | 2008-11-06 | — | — | US | disclosed |
| US-7407949-B2 | Benzamide derivatives as oxytocin agonists and vasopressin antagonists | FERRING B.V. (NL) | 2008-08-05 | — | — | US | disclosed |