⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL4366044 | 0.94 | — | — | |
| Isothiocyanate SCHEMBL331482 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL133963 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL8940171 | 0.93 | ALDH1A1 (0.43) | — | |
| Isothiocyanate SCHEMBL4002 | 0.93 | — | — | |
| Isothiocyanate SCHEMBL20183932 | 0.86 | — | — | |
| Isothiocyanate SCHEMBL2149601 | 0.86 | ALDH1A1 (0.38) | — | |
| Isothiocyanate SCHEMBL191111 | 0.86 | — | — | |
| Isothiocyanate SCHEMBL22204423 | 0.86 | — | — | |
| Isothiocyanate SCHEMBL5999870 | 0.86 | — | — |
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-20060286606-A1 | Clandestine Laboratory (Clan-Lab) Home Test Kit system, protocol, method and apparatus | OLIVER TROY L | 2006-12-21 | — | — | US | claimed |