⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL330550 | 0.77 | GRK6 (0.34) | — | |
| SCHEMBL9958734 | 0.77 | GRK6 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5739950 | 0.75 | GRK6 (0.33) | — | |
| SCHEMBL6300819 | 0.74 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL28741046 | 0.74 | GRK6 (0.32) | — | |
| SCHEMBL29786105 | 0.61 | GAA (0.34) | — | |
| SCHEMBL3831722 | 0.58 | KDM4E (0.41) | — | |
| SCHEMBL118762 | 0.58 | ALDH1A1 (0.31) | — | |
| SCHEMBL28085833 | 0.55 | MEN1 (0.36) | — | |
| SCHEMBL29394860 | 0.54 | TRPA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6846956-B2 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-25 | — | — | US | disclosed |
| US-20030181740-A1 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | disclosed |