⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7212902 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL8831438 | 0.65 | — | — | |
| SCHEMBL2239112 | 0.65 | — | — | |
| SCHEMBL368480 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL7667743 | 0.61 | TSHR (0.30) | — | |
| SCHEMBL11790276 | 0.61 | — | — | |
| SCHEMBL4780712 | 0.52 | — | — | |
| Silver SCHEMBL8011987 | 0.52 | — | — | |
| SCHEMBL369075 | 0.52 | — | — | |
| SCHEMBL8977795 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0781758-B1 | Organotin catalyzed transesterification | CIBA SC HOLDING AG (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0781758-A1 | Organotin catalyzed transesterification | CPS CHEMICAL COMPANY, Inc. (US) | 1997-07-02 | — | — | EP | disclosed |
| US-5606103-A | REACTING METHYL OR ETHYL ESTERS OF MONO- OR POLYCARBOXYLIC ACIDS WITH AN ALCOHOL OR POLYOL | CPS CHEMICAL COMPANY, INC. (US) | 1997-02-25 | — | — | US | disclosed |