⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19139145 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL22703061 | 0.78 | CA2 (0.31) | — | |
| SCHEMBL25574639 | 0.66 | HTR1D (0.33) | — | |
| SCHEMBL16675603 | 0.64 | GABRA1 (0.37) | — | |
| SCHEMBL13153823 | 0.64 | PARP1 (0.33) | — | |
| SCHEMBL720140 | 0.64 | ESR1 (0.41) | — | |
| SCHEMBL4419258 | 0.63 | CCR8 (0.46) | — | |
| SCHEMBL4418773 | 0.63 | CCR8 (0.40) | — | |
| SCHEMBL12915020 | 0.62 | PRKCI (0.49) | — | |
| SCHEMBL18819888 | 0.61 | JAK2 (0.30) | — |
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-9711802-B2 | Preparing method of alloy catalyst using polydopamine coating and alloy catalyst thereby | INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) | 2017-07-18 | — | — | US | disclosed |