⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6400253 | 0.88 | — | — | |
| SCHEMBL6860187 | 0.78 | — | — | |
| Chloroacetic Acid SCHEMBL8820557 | 0.75 | ALOX5 (0.35) | — | |
| SCHEMBL4777819 | 0.73 | MAPT (0.30) | — | |
| SCHEMBL9281324 | 0.72 | — | — | |
| SCHEMBL27811442 | 0.68 | AGL (0.31) | — | |
| SCHEMBL4625941 | 0.67 | — | — | |
| SCHEMBL6446050 | 0.67 | — | — | |
| SCHEMBL6446056 | 0.66 | — | — | |
| SCHEMBL11033718 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6279244-A | — | — | None | — | — | JP | disclosed |
| JP-6279245-A | — | — | None | — | — | JP | disclosed |
| JP-1009917-A | — | — | None | — | — | JP | disclosed |
| JP-4066521-A | — | — | None | — | — | JP | disclosed |
| JP-63295505-A | — | — | None | — | — | JP | disclosed |
| JP-H06279244-A | HAIR-RINSING AGENT COMPOSITION | KANEBO LTD | 1994-10-04 | — | — | JP | disclosed |
| JP-H06279245-A | HAIR-RINSING AGENT COMPOSITION | KANEBO LTD | 1994-10-04 | — | — | JP | disclosed |
| JP-H0466521-A | HAIR RINSING AGENT COMPOSITION | KANEBO LTD | 1992-03-02 | — | — | JP | disclosed |
| JP-S649917-A | HAIR RINSE AGENT COMPOSITION | KANEBO LTD | 1989-01-13 | — | — | JP | disclosed |
| JP-S63295505-A | HAIR TREATMENT | KANEBO LTD | 1988-12-01 | — | — | JP | disclosed |