⚠ 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 SCHEMBL586967 | 1.00 | TSHR (0.44) | — | |
| Propane SCHEMBL6752484 | 1.00 | — | — | |
| Propane SCHEMBL587355 | 1.00 | — | — | |
| Propane SCHEMBL27685652 | 0.91 | — | — | |
| Propane SCHEMBL9246294 | 0.89 | — | — | |
| Propane SCHEMBL1021 | 0.89 | — | — | |
| Propane SCHEMBL10956924 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL9248656 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.89 | — | — | |
| Propane SCHEMBL7711629 | 0.80 | — | — |
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-109432420-A | A kind of preparation method of nano particle | 中国人民解放军南京军区南京总医院 | 2019-03-08 | — | — | CN | disclosed |
| CN-109395079-A | A kind of multifunctional nano probe and its preparation method and application | 中国人民解放军南京军区南京总医院 | 2019-03-01 | — | — | CN | disclosed |