⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34037 | 0.73 | TBXAS1 (0.32) | — | |
| SCHEMBL33842 | 0.72 | ADORA2A (0.33) | — | |
| SCHEMBL33817 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL33911 | 0.70 | MAP4K4 (0.32) | — | |
| SCHEMBL33682 | 0.69 | SMPD3 (0.31) | — | |
| SCHEMBL9942312 | 0.66 | SMPD3 (0.31) | — | |
| SCHEMBL6693004 | 0.64 | TDP1 (0.35) | — | |
| SCHEMBL27900470 | 0.62 | TLR8 (0.42) | — | |
| SCHEMBL27752780 | 0.62 | PDE4B (0.33) | — | |
| SCHEMBL17238825 | 0.62 | CSNK2A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-2651516-A2 | DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'Oréal (FR) | 2013-10-23 | — | — | EP | claimed |
| WO-2012080321-A2 | DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | claimed |