⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27641553 | 0.98 | — | — | |
| SCHEMBL1639540 | 0.93 | — | — | |
| SCHEMBL2985393 | 0.91 | — | — | |
| Boric Acid SCHEMBL28053532 | 0.91 | — | — | |
| SCHEMBL182656 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL7921311 | 0.79 | — | — | |
| SCHEMBL4544096 | 0.77 | — | — | |
| SCHEMBL9568675 | 0.77 | — | — | |
| SCHEMBL27321156 | 0.75 | — | — | |
| SCHEMBL18103305 | 0.73 | MEN1 (0.31) | — |
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-108440585-A | A kind of synthetic method of indoline boron ester | 常州大学 | 2018-08-24 | — | — | CN | disclosed |