⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19661247 | 0.90 | P2RY10 (0.35) | — | |
| SCHEMBL19661232 | 0.86 | LPAR3 (0.41) | — | |
| SCHEMBL17327639 | 0.81 | LPAR3 (0.37) | — | |
| SCHEMBL26688599 | 0.80 | PLA2G2A (0.37) | — | |
| SCHEMBL25584062 | 0.80 | LPAR3 (0.40) | — | |
| SCHEMBL26334857 | 0.75 | CYP2D6 (0.39) | — | |
| SCHEMBL26334849 | 0.73 | CYP2D6 (0.42) | — | |
| SCHEMBL26334858 | 0.73 | CYP2D6 (0.42) | — | |
| SCHEMBL26334850 | 0.73 | CYP2D6 (0.42) | — | |
| SCHEMBL22193586 | 0.71 | LPAR3 (0.40) | — |
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-20170342485-A1 | TAGGED MULTI-NUCLEOTIDES USEFUL FOR NUCLEIC ACID SEQUENCING | Roche Sequencing Solutions, Inc. (US) | 2017-11-30 | — | — | US | disclosed |