⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18499064 | 1.00 | — | — | |
| SCHEMBL18820160 | 0.88 | — | — | |
| SCHEMBL18499068 | 0.83 | PDE5A (0.32) | — | |
| SCHEMBL4400230 | 0.79 | KDM1A (0.30) | — | |
| SCHEMBL15451582 | 0.78 | — | — | |
| SCHEMBL172451 | 0.74 | ESR2 (0.34) | — | |
| SCHEMBL15451569 | 0.74 | PKM (0.33) | — | |
| SCHEMBL20821913 | 0.73 | KDM1A (0.34) | — | |
| SCHEMBL31026 | 0.72 | ESR2 (0.37) | — | |
| SCHEMBL802760 | 0.72 | ESR2 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170121606-A1 | POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | GMBH, MERCK PATENT (DE) | 2017-05-04 | — | — | US | disclosed |