⚠ 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 | |
|---|---|---|---|---|
| Pyrazine SCHEMBL8521723 | 0.82 | — | — | |
| Pyrazine SCHEMBL5179 | 0.82 | — | — | |
| SCHEMBL31437084 | 0.82 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL1226089 | 0.82 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL11731991 | 0.78 | — | — | |
| Pyrazine SCHEMBL28205589 | 0.78 | — | — | |
| Pyrazine SCHEMBL27612077 | 0.78 | — | — | |
| Pyrazine SCHEMBL8832091 | 0.78 | — | — | |
| Pyrazine SCHEMBL27618003 | 0.78 | — | — | |
| Pyridine SCHEMBL11324446 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131692-A1 | SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2009-10-29 | — | — | WO | claimed |
| CN-104093695-B | Capric acid derivatives and perfume compositions | 长谷川香料株式会社 | 2016-08-31 | — | — | CN | disclosed |
| WO-2009131692-A1 | SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2009-10-29 | — | — | WO | disclosed |