⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8333174 | 1.00 | — | — | |
| SCHEMBL23234803 | 0.84 | CNR2 (0.38) | — | |
| SCHEMBL23234801 | 0.84 | CNR2 (0.38) | — | |
| SCHEMBL28417908 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL10021973 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL7898886 | 0.80 | — | — | |
| SCHEMBL757578 | 0.80 | — | — | |
| SCHEMBL757579 | 0.80 | — | — | |
| SCHEMBL10021980 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL18250229 | 0.78 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11209738-A | — | — | None | — | — | JP | disclosed |
| JP-H11209738-A | SEPARATING AGENT FOR HALOGENATED ETHYLENE COMPOUND | KURITA WATER IND LTD | 1999-08-03 | — | — | JP | disclosed |