⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3693648 | 0.78 | — | — | |
| Chloroacetic Acid SCHEMBL9404182 | 0.78 | — | — | |
| SCHEMBL6400253 | 0.77 | — | — | |
| SCHEMBL6446050 | 0.66 | — | — | |
| SCHEMBL4777819 | 0.64 | MAPT (0.30) | — | |
| SCHEMBL11800437 | 0.63 | — | — | |
| SCHEMBL9281324 | 0.61 | — | — | |
| SCHEMBL27811442 | 0.59 | AGL (0.31) | — | |
| SCHEMBL4625941 | 0.58 | — | — | |
| SCHEMBL11033718 | 0.57 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2167215-A | — | — | None | — | — | JP | disclosed |
| JP-2160715-A | — | — | None | — | — | JP | disclosed |
| JP-2167214-A | — | — | None | — | — | JP | disclosed |
| JP-2160714-A | — | — | None | — | — | JP | disclosed |
| JP-1038015-A | — | — | None | — | — | JP | disclosed |
| JP-1006210-A | — | — | None | — | — | JP | disclosed |
| JP-2004099475-A | HAIR DYE | KANEBO LTD | 2004-04-02 | — | — | JP | disclosed |
| JP-H02167215-A | HAIR RINSE COMPOSITION | KANEBO LTD | 1990-06-27 | — | — | JP | disclosed |
| JP-H02167214-A | FOAMY HAIR COSMETIC | KANEBO LTD | 1990-06-27 | — | — | JP | disclosed |
| JP-H02160715-A | HAIR RINSE AGENT COMPOSITION | KANEBO LTD | 1990-06-20 | — | — | JP | disclosed |
| JP-H02160714-A | HAIR RINSE AGENT COMPOSITION | KANEBO LTD | 1990-06-20 | — | — | JP | disclosed |
| JP-S6438015-A | HAIR RINSE AGENT COMPOSITION | KANEBO LTD | 1989-02-08 | — | — | JP | disclosed |
| JP-S646210-A | HAIR RINSE AGENT COMPOSITION | KANEBO LTD | 1989-01-10 | — | — | JP | disclosed |