⚠ 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 SCHEMBL9005790 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL9447568 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL28174913 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL29209198 | 1.00 | CA1 (0.86) | — | |
| Thiocyanic Acid SCHEMBL9701755 | 1.00 | CA1 (0.86) | — | |
| Thiocyanic Acid SCHEMBL11059847 | 1.00 | CA1 (0.86) | — | |
| Thiocyanic Acid SCHEMBL4777567 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL17160901 | 1.00 | CA1 (0.86) | — | |
| Thiocyanic Acid SCHEMBL354274 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL23549390 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5490887-A | AMMONIUM NITRATE, THICKENER, FUEL, CROSSLINKING AGENT, GAS BUBBLE PRODUCER | DYNO NOBEL INC. (US) | 1996-02-13 | — | — | US | disclosed |