⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL374533 | 0.82 | — | — | |
| Propane SCHEMBL28735577 | 0.78 | — | — | |
| N-Propyl Bromide SCHEMBL27825886 | 0.73 | — | — | |
| SCHEMBL27805244 | 0.73 | — | — | |
| SCHEMBL22634 | 0.73 | — | — | |
| SCHEMBL8621169 | 0.73 | — | — | |
| SCHEMBL8619869 | 0.73 | — | — | |
| SCHEMBL265298 | 0.73 | — | — | |
| Ethylamine SCHEMBL978202 | 0.72 | — | — | |
| SCHEMBL13822794 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5747595-A | TRIALKOXYALKYLSILANE | TONEN CORPORATION (JP) | 1998-05-05 | — | — | US | disclosed |