⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27548060 | 0.84 | — | — | |
| SCHEMBL10780185 | 0.79 | — | — | |
| SCHEMBL27390854 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL22580712 | 0.75 | OPRM1 (0.33) | — | |
| SCHEMBL2058302 | 0.75 | SPHK1 (0.37) | — | |
| SCHEMBL331155 | 0.74 | MMP1 (0.38) | — | |
| SCHEMBL43802 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL8827940 | 0.73 | OPRM1 (0.37) | — | |
| SCHEMBL456488 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1132202 | 0.72 | DNM1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452385-B2 | Naphthalene derivatives and colorants for keratin fibers containing these compounds | WELLA AG (DE) | 2008-11-18 | — | — | US | disclosed |
| US-20070157398-A1 | Novel naphthalene derivatives and colorants for keratin fibers containing these compounds | Wella GmbH (DE) | 2007-07-12 | — | — | US | disclosed |
| WO-2007072975-A1 | METHOD FOR FUNCTIONALISING A HYDROPHOBIC SUBSTRATE | SHARP KABUSHIKI KAISHA (JP) | 2007-06-28 | — | — | WO | disclosed |