⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261886 | 0.87 | — | — | |
| SCHEMBL10720332 | 0.82 | — | — | |
| Propane SCHEMBL11425893 | 0.73 | CA1 (0.60) | — | |
| Propane SCHEMBL6578035 | 0.73 | — | — | |
| Propane SCHEMBL19371522 | 0.73 | — | — | |
| Propionitrile SCHEMBL11133901 | 0.73 | — | — | |
| Propane SCHEMBL28776268 | 0.70 | — | — | |
| Propane SCHEMBL27304070 | 0.67 | — | — | |
| Propionitrile SCHEMBL27701221 | 0.67 | — | — | |
| Propionitrile SCHEMBL15485 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015053576-A1 | METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE | LG LIFE SCIENCES LTD. (KR) | 2015-04-16 | — | — | WO | disclosed |