⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7111908 | 0.78 | — | — | |
| SCHEMBL19985104 | 0.72 | — | — | |
| SCHEMBL4347140 | 0.72 | POLB (0.41) | — | |
| SCHEMBL2597642 | 0.69 | NUDT1 (0.35) | — | |
| SCHEMBL7788031 | 0.69 | — | — | |
| SCHEMBL19985110 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL12218771 | 0.67 | HDAC3 (0.34) | — | |
| SCHEMBL9183784 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL9189358 | 0.65 | — | — | |
| SCHEMBL14764637 | 0.65 | HTR7 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0443574-B1 | Water-insoluble naphthalic acid imide dyestuffs | HOECHST MITSUBISHI KASEI (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5368612-A | Method of dyeing a fiber mixture with water-insoluble naphthalic acid imide dyestuffs | HOECHST MITSUBHISHI KASEI CO., LTD. (JP) | 1994-11-29 | — | — | US | disclosed |
| US-5290931-A | Dyes with triazine groups | HOECHST MITSUBISHI KASEI CO., LTD. (JP) | 1994-03-01 | — | — | US | disclosed |
| EP-0443574-A1 | Water-insoluble naphthalic acid imide dyestuffs | HOECHST MITSUBISHI KASEI CO., LTD. (JP) | 1991-08-28 | — | — | EP | disclosed |