⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL875662 | 0.97 | — | — | |
| SCHEMBL20679745 | 0.93 | — | — | |
| SCHEMBL2029535 | 0.90 | CA12 (0.48) | — | |
| SCHEMBL10491535 | 0.77 | CA12 (0.37) | — | |
| SCHEMBL27668660 | 0.76 | — | — | |
| SCHEMBL3913332 | 0.75 | CA12 (0.36) | — | |
| Pyridine SCHEMBL27648654 | 0.75 | TSHR (0.39) | — | |
| Pyrimidine SCHEMBL27462348 | 0.75 | CA12 (0.36) | — | |
| Toluene SCHEMBL28865107 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL3913278 | 0.75 | CA12 (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-1521168-A | Method for producing d-biotin | 四川绵竹汉旺黄磷有限责任公司 | 2004-08-18 | — | — | CN | disclosed |