⚠ 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 | |
|---|---|---|---|---|
| Thiosemicarbazide SCHEMBL2147473 | 0.96 | — | — | |
| Thiosemicarbazide SCHEMBL8825100 | 0.92 | — | — | |
| Thiosemicarbazide SCHEMBL18890136 | 0.92 | — | — | |
| Thiosemicarbazide SCHEMBL27681364 | 0.79 | — | — | |
| Pimagedine SCHEMBL27694413 | 0.70 | — | — | |
| Thiourea SCHEMBL8598775 | 0.67 | — | — | |
| Hydrazine SCHEMBL23925257 | 0.67 | — | — | |
| Hydrazine SCHEMBL27895122 | 0.67 | — | — | |
| Pimagedine SCHEMBL2411461 | 0.67 | — | — | |
| Hydrazine SCHEMBL28854390 | 0.64 | LMNA (0.33) | — |
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-109890822-A | INHIBITORS OF CELLULAR METABOLIC PROCESSES | 安吉奥斯医药品有限公司 | 2019-06-14 | — | — | CN | disclosed |