⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9184913 | 1.00 | — | — | |
| SCHEMBL9291661 | 1.00 | — | — | |
| SCHEMBL9291658 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9464197 | 0.97 | ALDH1A1 (0.41) | — | |
| SCHEMBL27406044 | 0.80 | CHRM1 (0.48) | — | |
| SCHEMBL6712638 | 0.79 | — | — | |
| SCHEMBL9405675 | 0.79 | — | — | |
| SCHEMBL9464192 | 0.77 | — | — | |
| SCHEMBL1707209 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28495167 | 0.75 | MAPT (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5058952-A | — | — | None | — | — | JP | disclosed |
| US-5683623-A | FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS | CENTRAL RESEARCH LABORATORIES LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0662114-B1 | DIOXANE DERIVATIVES | CENTRAL RESEARCH LAB LTD (GB) | 1997-02-19 | — | — | EP | disclosed |
| EP-0662114-A1 | DIOXANE DERIVATIVES. | CENTRAL RESEARCH LAB LTD (GB) | 1995-07-12 | — | — | EP | disclosed |
| WO-1994006885-A1 | DIOXANE DERIVATIVES | CENTRAL RESEARCH LABORATORIES LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |
| US-5225105-A | Optically active compound and ferroelectric liquid crystal composition produced therefrom | SONY CORPORATION (JP) | 1993-07-06 | — | — | US | disclosed |
| JP-H0558952-A | FLUORINATED LIQUID CRYSTAL | THOMSON CSF | 1993-03-09 | — | — | JP | disclosed |
| US-5182047-A | FLUORINATED BIPHENYLDIOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-01-26 | — | — | US | disclosed |
| EP-0368975-A1 | FLUORINATED BIPHENYLDIOLE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-05-23 | — | — | EP | disclosed |
| WO-1989012039-A1 | FLUORINATED BIPHENYLDIOLE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-12-14 | — | — | WO | disclosed |
| EP-0159872-A2 | Smectic liquid crystal compound and liquid crystal compositions | AJINOMOTO CO., INC. (JP) | 1985-10-30 | — | — | EP | disclosed |