⚠ 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 SCHEMBL11310858 | 1.00 | CA1 (0.86) | — | |
| Thiocyanic Acid SCHEMBL27817549 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL8900 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL10574263 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL6298414 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL435605 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL18153982 | 0.93 | CA1 (1.00) | — | |
| Thiocyanic Acid SCHEMBL22439 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL8543600 | 0.93 | — | — | |
| Thiocyanic Acid SCHEMBL2359454 | 0.93 | CA1 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0427892-B2 | Method of forming a silver image | AGFA GEVAERT (BE) | 2005-04-27 | — | — | EP | disclosed |
| EP-0427892-B1 | Spectrally sensitized silver halide emulsions | AGFA GEVAERT NV (BE) | 1994-01-26 | — | — | EP | disclosed |
| US-5116722-A | Trinuclear merocyanine dye continaing at least two water solubilzing groups, minimal residual color stain | AGFA-GEVAERT, N.V. (BE) | 1992-05-26 | — | — | US | disclosed |
| EP-0427892-A1 | Spectrally sensitized silver halide emulsions | AGFA-GEVAERT N.V. (BE) | 1991-05-22 | — | — | EP | disclosed |