⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3389327 | 0.73 | — | — | |
| Diethanolamine SCHEMBL6894984 | 0.72 | — | — | |
| Diethanolamine SCHEMBL27661740 | 0.71 | TSHR (0.32) | — | |
| Diethanolamine SCHEMBL11849912 | 0.69 | SMN1; SMN2 (0.33) | — | |
| Diethanolamine SCHEMBL28826340 | 0.69 | SMN1; SMN2 (0.33) | — | |
| Diethanolamine SCHEMBL901546 | 0.69 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.69 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5307430 | 0.69 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5843119 | 0.69 | — | — | |
| Diethanolamine SCHEMBL2324 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1394153-B1 | THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF | UNIMATEC CO LTD (JP) | 2010-12-29 | — | — | EP | disclosed |
| US-7199169-B2 | Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof | UNIMATEC CO., LTD. (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20040162368-A1 | Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof | UNIMATEC CO., LTD. (JP) | 2004-08-19 | — | — | US | disclosed |
| EP-1394153-A1 | THIOL COMPOUND DERIVATIVES&comma; HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF | Unimatec Co., Ltd. (JP) | 2004-03-03 | — | — | EP | disclosed |