⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2012124 | 0.80 | HSD11B1 (0.36) | — | |
| SCHEMBL23743116 | 0.78 | — | — | |
| SCHEMBL8678932 | 0.78 | HSD11B1 (0.32) | — | |
| SCHEMBL23499348 | 0.78 | — | — | |
| SCHEMBL24444525 | 0.78 | — | — | |
| SCHEMBL1154933 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL2999754 | 0.75 | — | — | |
| SCHEMBL17795909 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL30827387 | 0.72 | — | — | |
| SCHEMBL5067660 | 0.72 | ALDH1A1 (0.41) | — |
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-9570294-B2 | Preparation method of graphene nanoribbon on h-BN | SHANGHAI INSTITUTE OF MICROSYSTEM AND INFORMATION TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-14 | — | — | US | disclosed |