⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12852178 | 0.85 | ALDH1A1 (0.33) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL22288079 | 0.77 | TSHR (0.56) | — | |
| SCHEMBL18073193 | 0.76 | — | — | |
| Tetraethylene Glycol SCHEMBL7849864 | 0.75 | MEN1 (0.58) | — | |
| Triethylene Glycol SCHEMBL7837382 | 0.75 | MEN1 (0.58) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL1548102 | 0.73 | TSHR (0.67) | — | |
| SCHEMBL3389327 | 0.73 | — | — | |
| SCHEMBL4309346 | 0.73 | — | — | |
| Triethylene Glycol SCHEMBL7847809 | 0.73 | MEN1 (0.55) | — | |
| SCHEMBL6800013 | 0.71 | TSHR (0.62) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180118624-A1 | GYPSUM-CONTAINING COMPOSITION | BASF CONSTRUCTION SOLUTIONS GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| US-20160264691-A1 | ALKOXYLATES OF S-VINYLTHIOALKANOLS | BASF SE (DE) | 2016-09-15 | — | — | US | disclosed |
| US-20160264691-A1 | ALKOXYLATES OF S-VINYLTHIOALKANOLS | BASF SE (DE) | 2016-09-15 | — | — | US | disclosed |
| US-20150210701-A1 | TREATMENT OF HELICOBACTER PYLORI INFECTIONS | ALBERTEINSTIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2015-07-30 | — | — | US | disclosed |