⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18940917 | 1.00 | — | — | |
| SCHEMBL17434420 | 0.87 | NOS3 (0.53) | — | |
| SCHEMBL8892097 | 0.87 | NOS3 (0.53) | — | |
| SCHEMBL9423322 | 0.87 | NOS3 (0.53) | — | |
| Hydrochloric Acid SCHEMBL8893490 | 0.84 | NOS3 (0.52) | — | |
| SCHEMBL617875 | 0.81 | NOS3 (0.55) | — | |
| SCHEMBL6535740 | 0.81 | NOS3 (0.55) | — | |
| SCHEMBL8093094 | 0.81 | NOS3 (0.55) | — | |
| SCHEMBL4156931 | 0.78 | NOS2 (0.47) | — | |
| SCHEMBL4156927 | 0.78 | NOS2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10987389-B2 | Anti-tumor traditional Chinese medicine microbial fermentation preparation and a preparation method and application thereof | LI XINGYAO (CN) | 2021-04-27 | — | — | US | disclosed |
| US-20170165307-A1 | Anti-tumor Traditional Chinese Medicine Microbial Fermentation Preparation And A Preparation Method And Application Thereof | LI XINGYAO (CN) | 2017-06-15 | — | — | US | disclosed |