⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL996895 | 0.88 | ALDH1A1 (0.63) | — | |
| SCHEMBL474441 | 0.84 | TLR8 (0.61) | — | |
| SCHEMBL995900 | 0.82 | — | — | |
| Quinoline SCHEMBL27285420 | 0.81 | ALDH1A1 (0.49) | — | |
| SCHEMBL10714479 | 0.78 | — | — | |
| SCHEMBL2546731 | 0.78 | HTR2C (0.40) | — | |
| SCHEMBL924488 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL82664 | 0.76 | — | — | |
| SCHEMBL17153793 | 0.75 | ALDH1A1 (0.41) | — | |
| Iodide SCHEMBL5538014 | 0.74 | ALDH1A1 (0.74) | — |
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-7872093-B2 | imidazole-based polymerization catalysts; refractive index; cost efficiency; for optical lenses, spectacle lenses, contact lenses, intraocular lenses, prisms, optical filters, optical fibers and optical disks substrate | HOYA CORPORATION (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20090259001-A1 | METHOD FOR PRODUCING POLYTHIOURETHANE RESIN | HOYA CORPORATION (JP) | 2009-10-15 | — | — | US | disclosed |
| EP-2065415-A1 | METHOD FOR PRODUCING POLYTHIOURETHANE RESIN | Hoya Corporation (JP) | 2009-06-03 | — | — | EP | disclosed |
| US-6930076-B2 | Nematicidal trifluorobutenyl imidazole thioether derivatives | BAYER CROPSCIENCE AG (DE) | 2005-08-16 | — | — | US | disclosed |
| US-20050080123-A1 | Nematicidal trifluorobutenyl imidazole thioether derivatives | BAYER CROPSCIENCE AG (DE) | 2005-04-14 | — | — | US | disclosed |
| EP-1465490-A2 | NEMATICIDAL TRIFLUOROBUTENYL IMIDAZOLE THIOETHER DERIVATIVES | Bayer CropScience AG (DE) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003049541-A2 | NEMATICIDAL TRIFLUOROBUTENYL IMIDAZOLE THIOETHER DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-06-19 | — | — | WO | disclosed |
| US-4214089-A | Thiazolo[3,2-a]benzimidazoles, imidazo [2,1-b]thiazoles, and related compounds as antineoplastic agents, and enhancers of the immune response | AMERICAN HOME PRODUCTS CORPORATION (US) | 1980-07-22 | — | — | US | disclosed |