⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14950512 | 0.74 | — | — | |
| Methylsulfanylmethane SCHEMBL31097 | 0.71 | — | — | |
| SCHEMBL19943679 | 0.70 | — | — | |
| SCHEMBL22663724 | 0.67 | — | — | |
| SCHEMBL21301176 | 0.63 | — | — | |
| SCHEMBL21349967 | 0.59 | TSHR (0.30) | — | |
| SCHEMBL10356515 | 0.59 | — | — | |
| SCHEMBL11099627 | 0.59 | — | — | |
| SCHEMBL3496702 | 0.56 | — | — | |
| SCHEMBL4183718 | 0.56 | — | — |
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-0927715-B1 | Process for preparing a polyether polyol | BAYER AG (US) | 2004-03-17 | — | — | EP | disclosed |
| US-6004482-A | SALTS OF SULFUR COMPOUNDS, ALDEHYDES OF ALKALI METALS OF SULFUR AND ALUMINUM HYDRIDES | BAYER CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0927715-A1 | A stable aromatic amine composition, and a process for preparing color stable aromatic amines | Bayer Corporation (US) | 1999-07-07 | — | — | EP | disclosed |