⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2511403 | 0.71 | TDP1 (0.44) | — | |
| SCHEMBL5855064 | 0.69 | SLC22A6 (0.33) | — | |
| SCHEMBL10403728 | 0.68 | — | — | |
| SCHEMBL8494447 | 0.65 | — | — | |
| SCHEMBL10608974 | 0.64 | DNM1 (0.53) | — | |
| SCHEMBL21533051 | 0.63 | TDP1 (0.36) | — | |
| SCHEMBL8497308 | 0.63 | TDP1 (0.36) | — | |
| SCHEMBL8982381 | 0.63 | CYP2D6 (0.45) | — | |
| SCHEMBL967152 | 0.62 | — | — | |
| SCHEMBL5790691 | 0.61 | CHRNB2 (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-1021910-C | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-08-25 | — | — | CN | disclosed |