⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL903172 | 0.73 | — | — | |
| SCHEMBL11130658 | 0.73 | — | — | |
| SCHEMBL8651774 | 0.71 | — | — | |
| SCHEMBL2560538 | 0.71 | — | — | |
| SCHEMBL8343605 | 0.68 | HTR1A (0.54) | — | |
| SCHEMBL10141581 | 0.68 | CCR4 (0.36) | — | |
| SCHEMBL13995822 | 0.67 | KDM1A (0.44) | — | |
| SCHEMBL18758250 | 0.67 | — | — | |
| SCHEMBL9335545 | 0.67 | HTR1A (0.38) | — | |
| SCHEMBL9267390 | 0.67 | — | — |
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-5395845-A | Insecticides | ROUSSEL-UCLAF (FR) | 1995-03-07 | — | — | US | disclosed |