⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12690295 | 0.70 | — | — | |
| SCHEMBL28290982 | 0.69 | HTR2A (0.38) | — | |
| SCHEMBL31619967 | 0.68 | BCHE (0.39) | — | |
| SCHEMBL12694247 | 0.67 | ACHE (0.36) | — | |
| SCHEMBL1996543 | 0.66 | HTR2A (0.54) | — | |
| Hydrochloric Acid SCHEMBL28747642 | 0.65 | BCHE (0.34) | — | |
| SCHEMBL28508898 | 0.64 | GPR3 (0.35) | — | |
| SCHEMBL12690296 | 0.64 | HTR2A (0.36) | — | |
| SCHEMBL12814348 | 0.62 | BCHE (0.33) | — | |
| SCHEMBL12691905 | 0.61 | HSD11B1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180208757-A1 | Ethylene Copolymer with In-Situ Oil Production | EXXONMOBIL CHEMICAL PATENTS INC. | 2018-07-26 | — | — | US | disclosed |