⚠ 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 SCHEMBL9094366 | 1.00 | CA1 (0.40) | — | |
| Thiocyanic Acid SCHEMBL320382 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL5324753 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL8668753 | 0.94 | CA1 (0.44) | — | |
| Thiocyanic Acid SCHEMBL2634997 | 0.88 | CA1 (0.40) | — | |
| Thiocyanic Acid SCHEMBL5000700 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL232063 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL2195915 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL6154404 | 0.88 | — | — | |
| Thiocyanic Acid SCHEMBL11289373 | 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 |
|---|---|---|---|---|---|---|---|
| JP-4252951-A | — | — | None | — | — | JP | disclosed |
| JP-H04252951-A | MEASUREMENT OF CONCENTRATION OF COMPONENT FOR NON-ELECTROLYTE PLATING LIQUID | HITACHI AIC INC | 1992-09-08 | — | — | JP | disclosed |