⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502289 | 0.97 | — | — | |
| SCHEMBL28108365 | 0.94 | — | — | |
| Allyl Isothiocyanate SCHEMBL10884890 | 0.76 | TRPA1 (0.61) | — | |
| SCHEMBL9603580 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL10635268 | 0.74 | — | — | |
| SCHEMBL5909191 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL5909195 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL4892161 | 0.71 | — | — | |
| SCHEMBL698653 | 0.71 | TRPA1 (0.47) | — | |
| SCHEMBL9351593 | 0.69 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4216192-A | FROM A THIOCYANATE AND A LITHIUM SALT | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-05 | — | — | US | claimed |
| US-3952059-A | Alkyl ammonium thiocyanate manufacture and lube containing same | TEXACO INC. (US) | 1976-04-20 | — | — | US | claimed |
| CN-1140447-A | Novel carbamate deriv. and medicinal composition contg. the same | YAMANOUCHI PHARMA CO LTD (JP) | 1997-01-15 | — | — | CN | disclosed |
| EP-0747355-A1 | NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-11 | — | — | EP | disclosed |
| US-4612034-A | ISOPROPYLAMMONIUM GLYPHOSATE, AMMONIUM THIOCYANATE | J. T. BAKER CHEMICAL COMPANY (US) | 1986-09-16 | — | — | US | disclosed |
| US-4552582-A | THIDIAZURON AND THIOCYANATE | J. T. BAKER CHEMICAL CO. (US) | 1985-11-12 | — | — | US | disclosed |
| US-4216192-A | FROM A THIOCYANATE AND A LITHIUM SALT | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-05 | — | — | US | disclosed |
| US-4216192-A | FROM A THIOCYANATE AND A LITHIUM SALT | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-05 | — | — | US | disclosed |
| US-3952059-A | Alkyl ammonium thiocyanate manufacture and lube containing same | TEXACO INC. (US) | 1976-04-20 | — | — | US | disclosed |
| US-3952059-A | Alkyl ammonium thiocyanate manufacture and lube containing same | TEXACO INC. (US) | 1976-04-20 | — | — | US | disclosed |
| US-3952059-A | Alkyl ammonium thiocyanate manufacture and lube containing same | TEXACO INC. (US) | 1976-04-20 | — | — | US | disclosed |
| US-3867297-A | Lube containing alkyl ammonium thiocyanate | TEXACO INC | 1975-02-18 | — | — | US | disclosed |
| US-3867297-A | Lube containing alkyl ammonium thiocyanate | TEXACO INC | 1975-02-18 | — | — | US | disclosed |