⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7081733 | 0.64 | MAPT (0.35) | — | |
| SCHEMBL5708902 | 0.61 | ALDH1A1 (0.62) | — | |
| SCHEMBL5708840 | 0.58 | MAPT (0.48) | — | |
| SCHEMBL6186665 | 0.55 | ALDH1A1 (0.48) | — | |
| SCHEMBL8873092 | 0.55 | TSHR (0.53) | — | |
| SCHEMBL7476807 | 0.55 | TSHR (0.53) | — | |
| SCHEMBL11520921 | 0.54 | GRIN2D (0.41) | — | |
| SCHEMBL19456660 | 0.54 | MAPT (0.36) | — | |
| SCHEMBL7471462 | 0.54 | ALDH1A1 (0.50) | — | |
| SCHEMBL14903380 | 0.54 | ALDH1A1 (0.51) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6773463-B2 | A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE | WELLA AKTIENGESELLSCHAFT (DE) | 2004-08-10 | — | — | US | claimed |