⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20440937 | 0.86 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL20440919 | 0.84 | — | — | |
| SCHEMBL20440990 | 0.84 | — | — | |
| SCHEMBL20440984 | 0.84 | CNR1 (0.32) | — | |
| SCHEMBL20440955 | 0.84 | KIF11 (0.32) | — | |
| SCHEMBL20440975 | 0.84 | RXRA (0.33) | — | |
| SCHEMBL20440916 | 0.83 | DHODH (0.31) | — | |
| SCHEMBL20440959 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL20440967 | 0.82 | — | — | |
| SCHEMBL20440944 | 0.82 | KIF11 (0.30) | — |
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 |