⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21062057 | 0.88 | RAB9A (0.31) | — | |
| SCHEMBL28447511 | 0.86 | NAAA (0.30) | — | |
| SCHEMBL21062003 | 0.80 | RAB9A (0.34) | — | |
| SCHEMBL21062002 | 0.80 | RAB9A (0.34) | — | |
| SCHEMBL21061586 | 0.78 | MAPT (0.43) | — | |
| SCHEMBL21061743 | 0.76 | — | — | |
| SCHEMBL28451191 | 0.75 | CETP (0.31) | — | |
| SCHEMBL2343826 | 0.68 | RAB9A (0.37) | — | |
| SCHEMBL2349815 | 0.68 | RAB9A (0.37) | — | |
| SCHEMBL2343822 | 0.68 | RAB9A (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111479813-B | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2023-03-21 | — | — | CN | disclosed |
| EP-3724192-B1 | TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | RICHTER GEDEON NYRT (HU) | 2022-08-03 | — | — | EP | disclosed |
| US-11298363-B2 | Triazolobenzazepines as vasopressin V1a receptor antagonists | RICHTER GEDEON NYRT. (HU) | 2022-04-12 | — | — | US | disclosed |
| EP-3724192-A1 | TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | Richter Gedeon Nyrt. (HU) | 2020-10-21 | — | — | EP | disclosed |
| CN-111479813-A | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2020-07-31 | — | — | CN | disclosed |
| WO-2019116324-A1 | TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | RICHTER GEDEON NYRT. (HU) | 2019-06-20 | — | — | WO | disclosed |