⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28920099 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL1602461 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL990710 | 0.65 | MAPT (0.48) | — | |
| SCHEMBL11839035 | 0.64 | KMT2A (0.30) | — | |
| SCHEMBL11843651 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL8016907 | 0.62 | — | — | |
| SCHEMBL59059 | 0.62 | — | — | |
| SCHEMBL7555586 | 0.62 | — | — | |
| SCHEMBL64072 | 0.61 | CYP3A4 (0.33) | — | |
| SCHEMBL28819045 | 0.60 | CYP3A4 (0.32) | — |
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-4218460-A | NITROIMIDAZOLYLVINYLTHIADIAZOLES; TREATMENT OF TRICHOMONIASIS, TRYPANOSOMIASIS, AMOEBIC DYSENTERY | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | claimed |
| US-4218460-A | NITROIMIDAZOLYLVINYLTHIADIAZOLES; TREATMENT OF TRICHOMONIASIS, TRYPANOSOMIASIS, AMOEBIC DYSENTERY | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |
| US-4218460-A | NITROIMIDAZOLYLVINYLTHIADIAZOLES; TREATMENT OF TRICHOMONIASIS, TRYPANOSOMIASIS, AMOEBIC DYSENTERY | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |