⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8970764 | 0.85 | GPR88 (0.30) | — | |
| SCHEMBL8969290 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL8969484 | 0.79 | ALOX15 (0.33) | — | |
| SCHEMBL8970081 | 0.78 | PPM1B (0.38) | — | |
| SCHEMBL8970421 | 0.77 | CYP1A2 (0.36) | — | |
| SCHEMBL8970990 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL8970001 | 0.73 | NAAA (0.43) | — | |
| SCHEMBL8969051 | 0.73 | NAAA (0.43) | — | |
| SCHEMBL8969473 | 0.73 | NAAA (0.43) | — | |
| SCHEMBL8969010 | 0.73 | NAAA (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376294-B1 | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | HITACHI LTD (JP) | 1996-03-13 | — | — | EP | disclosed |
| US-5370821-A | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-06 | — | — | US | disclosed |
| US-5269965-A | Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions | TAKEDA CHEMICAL INDUSTRIES (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0376294-A1 | Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions | HITACHI, LTD. (JP) | 1990-07-04 | — | — | EP | disclosed |