⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9314142 | 0.78 | — | — | |
| SCHEMBL7872210 | 0.75 | — | — | |
| SCHEMBL7771004 | 0.73 | — | — | |
| SCHEMBL245347 | 0.73 | — | — | |
| SCHEMBL18324357 | 0.71 | — | — | |
| SCHEMBL15539370 | 0.69 | — | — | |
| Ethyl Chloride SCHEMBL6311592 | 0.65 | — | — | |
| 1,2-Dichloroethane SCHEMBL28875111 | 0.63 | TSHR (0.60) | — | |
| 1,2-Dichloroethane SCHEMBL36872 | 0.63 | — | — | |
| SCHEMBL12657733 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001080838-A2 | USE OF N2-SUBSTITUTED BENZ[F]INDAZOLE-4,9-QUINONES AS ANTIPARASITIC AGENTS | BUNDESREPUBLIK DEUTSCHLAND vertreten durch das BUNDESMINISTERIUM FÜR GESUNDHEIT, diesed vertreten durch das ROBERT-KOCH-INSTITUT, vertreten durch SEINEN LEITER (DE) | 2001-11-01 | — | — | WO | claimed |
| WO-2001080839-A2 | USE OF NAPHTHINDAZOLE-4,9-QUINONES AS ANTIPARASITIC AGENTS | BUNDESREPUBLIK DEUTSCHLAND vertreten durch das BUNDESMINISTERIUM FÜR GESUNDHEIT, dieses vertreten durch das ROBERT-KOCH-INSTITUT, vertreten durch seinen leiter (DE) | 2001-11-01 | — | — | WO | claimed |
| WO-2001080839-A2 | USE OF NAPHTHINDAZOLE-4,9-QUINONES AS ANTIPARASITIC AGENTS | BUNDESREPUBLIK DEUTSCHLAND vertreten durch das BUNDESMINISTERIUM FÜR GESUNDHEIT, dieses vertreten durch das ROBERT-KOCH-INSTITUT, vertreten durch seinen leiter (DE) | 2001-11-01 | — | — | WO | disclosed |