Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL9495322 | 1.00 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9855548 | 1.00 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9854915 | 0.97 | — | — | |
| SCHEMBL9494902 | 0.97 | — | — | |
| SCHEMBL9494894 | 0.97 | — | — | |
| SCHEMBL9500098 | 0.97 | ALDH1A1 (0.34) | ALDH1A1HPGD | |
| SCHEMBL9500089 | 0.97 | ALDH1A1 (0.34) | ALDH1A1HPGD | |
| SCHEMBL9496463 | 0.95 | ALDH1A1 (0.36) | ALDH1A1HPGD | |
| SCHEMBL9496457 | 0.95 | ALDH1A1 (0.36) | ALDH1A1HPGD | |
| SCHEMBL9498031 | 0.93 | HTR2C (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |