⚠ 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 SCHEMBL10422783 | 1.00 | — | — | |
| Thiocyanic Acid SCHEMBL11379412 | 0.94 | — | — | |
| Thiocyanic Acid SCHEMBL435605 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL22439 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL18153982 | 0.87 | CA1 (1.00) | — | |
| Thiocyanic Acid SCHEMBL6298414 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL8900 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL8543600 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL27817549 | 0.87 | — | — | |
| Thiocyanic Acid SCHEMBL10574263 | 0.87 | — | — |
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-4929466-A | VEGETABLES, PEROXIDE, PEROXIDASE, THIOCYANATES | EWOS AKTIEBOLAG (SE) | 1990-05-29 | — | — | US | claimed |