⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2405360 | 0.74 | — | — | |
| SCHEMBL2406439 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL28614203 | 0.63 | — | — | |
| Isobutane SCHEMBL760795 | 0.61 | ALDH1A1 (0.33) | — | |
| Isobutane SCHEMBL5096181 | 0.61 | — | — | |
| SCHEMBL2389454 | 0.61 | — | — | |
| Phosphonic Acid SCHEMBL19732758 | 0.60 | — | — | |
| Phosphonic Acid SCHEMBL9639981 | 0.58 | TSHR (0.31) | — | |
| Isopropyl Alcohol SCHEMBL814725 | 0.58 | — | — | |
| Phosphonic Acid SCHEMBL134920 | 0.58 | — | — |
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-8772519-B2 | Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2014-07-08 | — | — | US | disclosed |
| US-20110213080-A1 | Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |