⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4639156 | 1.00 | CA12 (0.60) | — | |
| SCHEMBL10363855 | 1.00 | CA12 (0.60) | — | |
| SCHEMBL3184844 | 0.97 | — | — | |
| SCHEMBL726671 | 0.88 | — | — | |
| SCHEMBL25317283 | 0.83 | CASP2 (0.72) | — | |
| SCHEMBL25319402 | 0.83 | CA12 (0.63) | — | |
| SCHEMBL9182483 | 0.82 | CA12 (0.87) | — | |
| SCHEMBL20261145 | 0.82 | CA12 (0.87) | — | |
| SCHEMBL16295924 | 0.82 | CA12 (0.87) | — | |
| SCHEMBL21388272 | 0.82 | CA12 (0.87) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1437139-B1 | Method for protection against genotoxic mutagenesis | ARCH DEV CORP (US) | 2008-07-16 | — | — | EP | claimed |
| US-4918107-A | HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS | TSUMURA & CO. (JP) | 1990-04-17 | — | — | US | disclosed |