⚠ 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 SCHEMBL6676721 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL2142875 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL2634997 | 0.88 | CA1 (0.40) | — | |
| Thiocyanic Acid SCHEMBL5000700 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL11737966 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL5323344 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL11737979 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL6231726 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL643813 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL643812 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4447335-A | THERMAL DECOMPOSITION OF CADMIUM AMMONIA THIOCYANATE, USED IN PHOTOELECTRIC OR SOLAR CELLS | ARGUS CHEMICAL CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| US-4360542-A | PHOTOELECTRIC CELLS | ARGUS CHEMICAL CORPORATION (US) | 1982-11-23 | — | — | US | disclosed |