⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15126410 | 0.76 | TDP1 (0.34) | — | |
| SCHEMBL11381732 | 0.75 | ENPEP (0.39) | — | |
| SCHEMBL11381735 | 0.75 | ENPEP (0.39) | — | |
| SCHEMBL17666044 | 0.70 | CHRM1 (0.30) | — | |
| SCHEMBL21365305 | 0.70 | CHRM1 (0.30) | — | |
| SCHEMBL20314811 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL17666039 | 0.70 | CHRM1 (0.30) | — | |
| SCHEMBL21365302 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL20165507 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL17665958 | 0.70 | ALDH1A1 (0.35) | — |
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-4684660-A | Mercaptoacyldepeptides | E. R. SQUIBB & SONS, INC. (US) | 1987-08-04 | — | — | US | claimed |