⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6864534 | 0.84 | CASP1 (0.31) | — | |
| SCHEMBL6872888 | 0.81 | CASP1 (0.36) | — | |
| SCHEMBL6870734 | 0.76 | TDP1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL6865486 | 0.75 | TDP1 (0.40) | — | |
| SCHEMBL6873989 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL6870786 | 0.71 | CASP1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6864680 | 0.70 | CASP1 (0.33) | — | |
| SCHEMBL6873733 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL5983366 | 0.64 | CASP1 (0.52) | — | |
| SCHEMBL21372 | 0.64 | CASP1 (0.52) | — |
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-6811573-B2 | HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES | WELLA AKTIENGESELLSCHAFT (DE) | 2004-11-02 | — | — | US | disclosed |
| US-20030093867-A1 | Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-05-22 | — | — | US | disclosed |