Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Thiocyanic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL2023650 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL5324753 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL320382 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL8668753 | 0.94 | CA1 (0.44) | — | |
| Thiocyanic Acid SCHEMBL9617600 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL28886743 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL2634997 | 0.88 | CA1 (0.40) | — | |
| Thiocyanic Acid SCHEMBL28886857 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL10513979 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL9094366 | 0.88 | CA1 (0.40) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1360990-B1 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER ANTWERPEN NV (BE) | 2005-10-12 | — | — | EP | disclosed |
| US-6953765-B2 | Double metal cyanide catalysts for preparing polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-10-11 | — | — | US | disclosed |
| US-6852663-B2 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-08 | — | — | US | disclosed |
| US-6833431-B2 | Polymerization catalyst containing one double-metal cyanide compound; an organic complexing ligand which is not a polyether, or a bile acid, a bile ester, bile salt or bile amide; a polyether and a bile acid or salt | BAYER AKTIENGESELLSCHAFT (DE) | 2004-12-21 | — | — | US | disclosed |
| US-6797665-B2 | COMPLEX POLYMERIZATION CATALYST FOR POLYETHERS | BAYER ANTWERPEN (BE) | 2004-09-28 | — | — | US | disclosed |
| US-20030211935-A1 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER ANTWERPEN, N.V. (BE) | 2003-11-13 | — | — | US | disclosed |
| EP-1360990-A1 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER ANTWERPEN N.V. (BE) | 2003-11-12 | — | — | EP | disclosed |
| US-20030204045-A1 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2003-10-30 | — | — | US | disclosed |
| US-20030119663-A1 | Double-metal cyanide catalysts for preparing polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2003-06-26 | — | — | US | disclosed |
| US-20020198099-A1 | Double metal cyanide catalysts for preparing polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2002-12-26 | — | — | US | disclosed |