⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24165828 | 0.67 | — | — | |
| SCHEMBL25798877 | 0.63 | — | — | |
| SCHEMBL30950412 | 0.61 | — | — | |
| SCHEMBL13818448 | 0.61 | RAB9A (0.50) | — | |
| Hydrochloric Acid SCHEMBL31143257 | 0.61 | — | — | |
| SCHEMBL31292149 | 0.61 | — | — | |
| SCHEMBL30393659 | 0.61 | — | — | |
| SCHEMBL19009316 | 0.60 | CYP1A2 (0.36) | — | |
| SCHEMBL24223482 | 0.60 | — | — | |
| SCHEMBL24759010 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974892-B | Triazole tetrazole compound, and preparation method and application thereof | 四川大学华西医院 | 2023-09-08 | — | — | CN | claimed |
| CN-115974892-A | Triazole tetrazine compound and preparation method and application thereof | 四川大学华西医院 | 2023-04-18 | — | — | CN | claimed |
| US-11767302-B2 | Reagents and methods for tetrazine synthesis | UNIVERSITY OF DELAWARE (US) | 2023-09-26 | — | — | US | disclosed |
| CN-115974892-B | Triazole tetrazole compound, and preparation method and application thereof | 四川大学华西医院 | 2023-09-08 | — | — | CN | disclosed |
| CN-115974892-A | Triazole tetrazine compound and preparation method and application thereof | 四川大学华西医院 | 2023-04-18 | — | — | CN | disclosed |