⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18539810 | 0.86 | TLR4 (0.33) | — | |
| SCHEMBL13992485 | 0.73 | HTR1D (0.41) | — | |
| SCHEMBL10046771 | 0.73 | S1PR2 (0.38) | — | |
| SCHEMBL14213255 | 0.73 | CD69 (0.54) | — | |
| SCHEMBL13992486 | 0.71 | TLR4 (0.33) | — | |
| SCHEMBL14213237 | 0.71 | TLR4 (0.33) | — | |
| SCHEMBL10046770 | 0.71 | CYP2C19 (0.35) | — | |
| SCHEMBL10046755 | 0.70 | HTR1D (0.39) | — | |
| SCHEMBL15479693 | 0.70 | BCHE (0.43) | — | |
| SCHEMBL10046769 | 0.69 | TLR4 (0.33) | — |
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-20170051224-A1 | HYDROGENATED POLYMERS WITH A RADIAL STRUCTURE HAVING A CORE BASED ON CALIXARENES AND USE THEREOF IN LUBRICANT COMPOSITIONS | ENI S.P.A. (IT) | 2017-02-23 | — | — | US | disclosed |