⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6855064 | 1.00 | — | — | |
| SCHEMBL6855060 | 1.00 | — | — | |
| SCHEMBL7917527 | 0.72 | — | — | |
| SCHEMBL7917524 | 0.72 | — | — | |
| SCHEMBL4946814 | 0.72 | — | — | |
| Butenyl Isothiocyanate SCHEMBL28977602 | 0.72 | — | — | |
| Butenyl Isothiocyanate SCHEMBL29474199 | 0.72 | — | — | |
| SCHEMBL27955159 | 0.72 | — | — | |
| SCHEMBL30484264 | 0.69 | — | — | |
| SCHEMBL29474198 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6069255-A | THERMAL REARRANGEMENT OF A 3-HALO-ALLYL ISOTHIOCYANATE TO A 3-HALO PROP-1-ENE ISOTHIOCYANATE IN SOLUTION WITH HEATING WITH A CARBOXYLIC OR SULFONIC ACID, A MINERAL ACID, E.G. HYDROGEN HALIDE OR AN OXYHALIDE; THIAZOLE INTERMEDIATES | LAPORTE INDUSTRIES, LIMITED (GB) | 2000-05-30 | — | — | US | claimed |
| EP-0885882-A1 | Preparation of vinyl isothiocyanates | Laporte Industries Limited (GB) | 1998-12-23 | — | — | EP | claimed |
| US-5705652-A | Preparation of substituted thiazoles | FINE ORGANICS, LTD. (GB) | 1998-01-06 | — | — | US | claimed |
| US-6069255-A | THERMAL REARRANGEMENT OF A 3-HALO-ALLYL ISOTHIOCYANATE TO A 3-HALO PROP-1-ENE ISOTHIOCYANATE IN SOLUTION WITH HEATING WITH A CARBOXYLIC OR SULFONIC ACID, A MINERAL ACID, E.G. HYDROGEN HALIDE OR AN OXYHALIDE; THIAZOLE INTERMEDIATES | LAPORTE INDUSTRIES, LIMITED (GB) | 2000-05-30 | — | — | US | disclosed |
| EP-0763531-B1 | Preparation of substituted thiazoles | FINE ORGANICS LTD (GB) | 2000-03-22 | — | — | EP | disclosed |
| EP-0885882-A1 | Preparation of vinyl isothiocyanates | Laporte Industries Limited (GB) | 1998-12-23 | — | — | EP | disclosed |
| US-5705652-A | Preparation of substituted thiazoles | FINE ORGANICS, LTD. (GB) | 1998-01-06 | — | — | US | disclosed |
| EP-0763531-A1 | Preparation of substituted thiazoles | Fine Organics Ltd. (GB) | 1997-03-19 | — | — | EP | disclosed |