⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4608057 | 0.93 | F2 (0.30) | — | |
| Benzene SCHEMBL27877794 | 0.90 | — | — | |
| Benzene SCHEMBL27877796 | 0.90 | — | — | |
| Benzene SCHEMBL27732819 | 0.90 | — | — | |
| Benzene SCHEMBL10275504 | 0.90 | SOAT1 (0.32) | — | |
| Benzene SCHEMBL27865514 | 0.90 | POLB (0.30) | — | |
| SCHEMBL28045639 | 0.89 | CA1 (0.31) | — | |
| SCHEMBL28045472 | 0.89 | CA1 (0.31) | — | |
| SCHEMBL28187066 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL28271935 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104558061-B | Hypoboric acid benzene tricarboxylic acid cobalt-indium micro-porous crystal and preparation method thereof | 陕西师范大学 | 2017-01-25 | — | — | CN | claimed |
| CN-104558061-B | Hypoboric acid benzene tricarboxylic acid cobalt-indium micro-porous crystal and preparation method thereof | 陕西师范大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-104558061-A | Hypoboric acid benzene tricarboxylic acid cobalt-indium micro-porous crystal and preparation method thereof | UNIV SHAANXI NORMAL | 2015-04-29 | — | — | CN | disclosed |