⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL7938034 | 1.00 | ALDH1A1 (0.40) | — | |
| Fluoride SCHEMBL29235154 | 1.00 | — | — | |
| Fluoride SCHEMBL7938032 | 1.00 | ALDH1A1 (0.40) | — | |
| Fluoride SCHEMBL27961860 | 0.96 | ALDH1A1 (0.38) | — | |
| Benzene SCHEMBL28128746 | 0.96 | ALDH1A1 (0.43) | — | |
| SCHEMBL49436 | 0.96 | — | — | |
| SCHEMBL3961954 | 0.92 | — | — | |
| Bromide SCHEMBL10514507 | 0.92 | ALDH1A1 (0.40) | — | |
| Hydrogen Sulfide SCHEMBL18423121 | 0.92 | — | — | |
| Water SCHEMBL22231695 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110903647-A | Ultrahigh-voltage flame-retardant cable material and preparation method thereof | 庄明磊 | 2020-03-24 | — | — | CN | disclosed |
| CN-110483571-A | (1- (substituted-phenyl) acenaphthylene base)-two (3,5- bis- (trifluoromethyl)) phenyl phosphine compound and preparation method thereof | UNIV SCIENCE & TECHNOLOGY CHINA | 2019-11-22 | — | — | CN | disclosed |
| CN-110483570-A | The method for preparing big steric hindrance electron deficient organophosphorus ligand compound | UNIV SCIENCE & TECHNOLOGY CHINA | 2019-11-22 | — | — | CN | disclosed |
| CN-107417723-A | (2 (substituted-phenyl) indenyl) two (3,5 2 (trifluoromethyl)) phenylphosphine ligands and preparation method thereof | 中国科学技术大学 | 2017-12-01 | — | — | CN | disclosed |
| CN-105001244-A | Triazole gold compound as well as preparation method and application thereof | UNIV SHANDONG | 2015-10-28 | — | — | CN | disclosed |
| EP-0934246-A1 | METHOD FOR PRODUCING $g(a)-ALKOXY-$g(a)-TRIFLUOROMETHYL-ARYL ACETIC ACID ESTERS AND -ARYL ACETIC ACIDS | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017622-A1 | METHOD FOR PRODUCING α-ALKOXY-α-TRIFLUOROMETHYL-ARYL ACETIC ACID ESTERS AND -ARYL ACETIC ACIDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-30 | — | — | WO | disclosed |