⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5032296 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL149083 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL13377793 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL28966202 | 0.73 | — | — | |
| SCHEMBL996306 | 0.70 | — | — | |
| SCHEMBL12375242 | 0.69 | — | — | |
| SCHEMBL25216370 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL5032230 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL1554827 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL16461476 | 0.67 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0545409-B1 | Liquid crystals with end groups containing more than one silane group | CONSORTIUM ELEKTROCHEM IND (DE) | 1996-03-06 | — | — | EP | disclosed |
| US-5399290-A | Liquid crystals with (polysila) alkyl wing groups | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1995-03-21 | — | — | US | disclosed |
| EP-0545409-A1 | Liquid crystals with end groups containing more than one silane group | Consortium für elektrochemische Industrie GmbH (DE) | 1993-06-09 | — | — | EP | disclosed |