⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11257428 | 0.77 | — | — | |
| SCHEMBL289192 | 0.58 | — | — | |
| SCHEMBL16410992 | 0.52 | — | — | |
| SCHEMBL545850 | 0.52 | — | — | |
| SCHEMBL52429 | 0.52 | — | — | |
| SCHEMBL6333537 | 0.50 | CA1 (0.41) | — | |
| SCHEMBL199270 | 0.50 | CA1 (0.41) | — | |
| SCHEMBL10775019 | 0.50 | CA1 (0.41) | — | |
| SCHEMBL5640745 | 0.50 | CA1 (0.41) | — | |
| SCHEMBL7562321 | 0.50 | CA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0464058-B1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES | HOECHST AG (DE) | 1995-06-14 | — | — | EP | claimed |
| US-5378394-A | Pyrimidine compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | claimed |
| EP-0464058-A1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES. | HOECHST AG (DE) | 1992-01-08 | — | — | EP | claimed |
| WO-1990011335-A1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-10-04 | — | — | WO | claimed |
| EP-0464058-B1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES | HOECHST AG (DE) | 1995-06-14 | — | — | EP | disclosed |
| US-5378394-A | Pyrimidine compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| EP-0464058-A1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES. | HOECHST AG (DE) | 1992-01-08 | — | — | EP | disclosed |
| WO-1990011335-A1 | FERROELECTRIC LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-10-04 | — | — | WO | disclosed |