⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77661 | 0.92 | — | — | |
| SCHEMBL643771 | 0.88 | — | — | |
| SCHEMBL7240256 | 0.88 | — | — | |
| SCHEMBL6272382 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL8035402 | 0.79 | — | — | |
| SCHEMBL11709061 | 0.79 | — | — | |
| SCHEMBL1238791 | 0.79 | — | — | |
| SCHEMBL31683807 | 0.79 | — | — | |
| SCHEMBL1130190 | 0.79 | — | — | |
| SCHEMBL11478529 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4061615-A | PHOSPHORUS ANDOR HALOGEN COMPOUND | RHONE-POULENC-TEXTILE (FR) | 1977-12-06 | — | — | US | claimed |
| CN-110183636-A | A kind of copolymerization carrier and the preparation method and application thereof | 中国科学院化学研究所 | 2019-08-30 | — | — | CN | disclosed |
| CN-102471264-A | 5, 5-disubstituted-2-imino pyrrolidine derivative, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-05-23 | — | — | CN | disclosed |
| EP-0496896-B1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | KANTO KAGAKU (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5545747-A | STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1996-08-13 | — | — | US | disclosed |
| EP-0496896-A1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1992-08-05 | — | — | EP | disclosed |
| US-4096280-A | Arylenedioxy-bis-diketones | STERLING DRUG INC. (US) | 1978-06-20 | — | — | US | disclosed |