⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20440976 | 0.87 | — | — | |
| SCHEMBL20440930 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL20440983 | 0.85 | — | — | |
| SCHEMBL20440923 | 0.85 | KIF11 (0.32) | — | |
| SCHEMBL20440970 | 0.84 | — | — | |
| SCHEMBL20440951 | 0.83 | CNR1 (0.31) | — | |
| SCHEMBL20440945 | 0.81 | DHODH (0.31) | — | |
| SCHEMBL20440966 | 0.81 | NPC1 (0.31) | — | |
| SCHEMBL20440973 | 0.80 | AKR1C3 (0.33) | — | |
| SCHEMBL20440918 | 0.79 | — | — |
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-10040883-B2 | Multimodal polyolefin resin and molded product prepared therefrom | DAELIM INDUSTRIAL CO., LTD. (KR) | 2018-08-07 | — | — | US | disclosed |