⚠ 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 SCHEMBL120416 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL1995622 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL31253501 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL15795897 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL42005 | 0.80 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL11509407 | 0.80 | — | — | |
| Thiocyanic Acid SCHEMBL11270674 | 0.80 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL4016398 | 0.80 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL4504379 | 0.80 | CA1 (0.30) | — | |
| Thiocyanic Acid SCHEMBL3862606 | 0.80 | CA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5665487-A | Water-acivated storage battery | SARTECH SYSTEMS, INC. (US) | 1997-09-09 | — | — | US | disclosed |
| US-4261853-A | CUPROUS THIOCYANATE, SULFUR, CARBON | MAGNAVOX GOVERNMENT AND INDUSTRIAL ELECTRONICS CO. (US) | 1981-04-14 | — | — | US | disclosed |
| US-4192913-A | CUPROUS THIOCYANATE, CARBON, SULFUR | MAGNAVOX GOVERNMENT AND INDUSTRIAL ELECTRONICS COMPANY (US) | 1980-03-11 | — | — | US | disclosed |