⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1830050 | 0.78 | — | — | |
| SCHEMBL1156202 | 0.78 | — | — | |
| SCHEMBL34222 | 0.76 | — | — | |
| SCHEMBL28549604 | 0.76 | CA1 (0.50) | — | |
| Bicarbonate SCHEMBL27146755 | 0.76 | — | — | |
| SCHEMBL16447961 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL17187955 | 0.76 | — | — | |
| SCHEMBL9561416 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL2536329 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL988835 | 0.74 | CA1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115215956-A | Low-molecular-weight hydroxyl-terminated carboxyl fluorocarbon elastomer, and preparation method and vulcanization method thereof | 北京化工大学 | 2022-10-21 | — | — | CN | claimed |