⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15039280 | 0.85 | — | — | |
| SCHEMBL16272077 | 0.77 | DNM1 (0.37) | — | |
| SCHEMBL16272076 | 0.74 | DNM1 (0.36) | — | |
| SCHEMBL2930215 | 0.69 | SMN1; SMN2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL5479778 | 0.68 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL24349581 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL20280497 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL29423616 | 0.67 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7256805 | 0.67 | SMN1; SMN2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL21854553 | 0.67 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2791106-B1 | PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF | OREAL (FR) | 2016-05-18 | — | — | EP | claimed |
| EP-2791106-B1 | PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF | OREAL (FR) | 2016-05-18 | — | — | EP | disclosed |