⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10045141 | 1.00 | — | — | |
| SCHEMBL19521465 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17509198 | 0.72 | CRBN (0.39) | — | |
| SCHEMBL4992475 | 0.65 | ANPEP (0.53) | — | |
| SCHEMBL821111 | 0.62 | MAPT (0.43) | — | |
| SCHEMBL24263454 | 0.62 | — | — | |
| SCHEMBL7443022 | 0.61 | — | — | |
| SCHEMBL2489118 | 0.61 | — | — | |
| SCHEMBL1687039 | 0.61 | — | — | |
| SCHEMBL24782261 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008125421-A1 | TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2008-10-23 | — | — | WO | disclosed |