Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| Water SCHEMBL1359257 | 0.78 | — | — | |
| Water SCHEMBL2114572 | 0.78 | TSHR (0.50) | — | |
| Acetonitrile SCHEMBL2815212 | 0.76 | — | — | |
| Lithium Ion SCHEMBL28826904 | 0.73 | — | — | |
| SCHEMBL5144293 | 0.73 | — | — | |
| SCHEMBL23012 | 0.73 | — | — | |
| Oxirane SCHEMBL3845526 | 0.73 | — | — | |
| SCHEMBL31186546 | 0.73 | — | — | |
| SCHEMBL9792991 | 0.73 | TSHR (0.56) | — | |
| SCHEMBL8123592 | 0.73 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149428-A2 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | Moltech Corporation (US) | 2001-10-31 | — | — | EP | claimed |
| WO-2000036683-A2 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | MOLTECH CORPORATION (US) | 2000-06-22 | — | — | WO | claimed |
| EP-1149428-B1 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | MOLTECH CORP (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1149428-A2 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | Moltech Corporation (US) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000036683-A2 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | MOLTECH CORPORATION (US) | 2000-06-22 | — | — | WO | disclosed |
| US-4216192-A | FROM A THIOCYANATE AND A LITHIUM SALT | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-05 | — | — | US | disclosed |