⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL30184977 | 1.00 | — | — | |
| Propane SCHEMBL10979647 | 1.00 | — | — | |
| Propane SCHEMBL27887844 | 0.91 | — | — | |
| Propane SCHEMBL21523577 | 0.91 | — | — | |
| Propane SCHEMBL28301367 | 0.91 | — | — | |
| Propane SCHEMBL6504652 | 0.91 | — | — | |
| Propane SCHEMBL6899282 | 0.91 | ALDH1A1 (0.33) | — | |
| Propane SCHEMBL9006335 | 0.91 | — | — | |
| Propane SCHEMBL12504181 | 0.91 | — | — | |
| Propane SCHEMBL286506 | 0.89 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110357109-A | The system of the synthesis of silicon propane and Purification by filtration | 台湾特品化学股份有限公司 | 2019-10-22 | — | — | CN | claimed |
| CN-208814668-U | System for synthesizing, filtering and purifying silicon propane | 台湾特品化学股份有限公司 | 2019-05-03 | — | — | CN | claimed |