⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL153253 | 0.92 | — | — | |
| SCHEMBL153252 | 0.92 | — | — | |
| SCHEMBL3539502 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL16448114 | 0.89 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL154419 | 0.89 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL150794 | 0.89 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL150793 | 0.89 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL16448116 | 0.89 | DPP4 (0.31) | — | |
| SCHEMBL4547601 | 0.86 | EPHX2 (0.31) | — | |
| SCHEMBL6272615 | 0.82 | DPP4 (0.32) | — |
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-2181173-B1 | LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2012-02-29 | — | — | EP | disclosed |
| EP-2199363-A2 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2010-06-23 | — | — | EP | disclosed |