⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457539 | 0.68 | — | — | |
| Bitoscanate SCHEMBL157128 | 0.67 | MIF (0.72) | — | |
| SCHEMBL7387255 | 0.67 | MIF (0.55) | — | |
| Phenylisothiocyanate SCHEMBL27304859 | 0.65 | MIF (0.94) | — | |
| SCHEMBL1548531 | 0.61 | MIF (0.62) | — | |
| Phenylisothiocyanate SCHEMBL20984 | 0.61 | — | — | |
| SCHEMBL5629621 | 0.61 | P2RY6 (0.42) | — | |
| SCHEMBL8990792 | 0.60 | GABRA1 (0.33) | — | |
| SCHEMBL7390143 | 0.60 | MIF (0.41) | — | |
| SCHEMBL29286863 | 0.60 | MIF (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5958373-A | Polychelants as contrast enhancing agents | NYCOMED SALUTAR INC. (US) | 1999-09-28 | — | — | US | claimed |
| EP-0717737-B1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR INC (US) | 1999-04-07 | — | — | EP | claimed |
| EP-0717737-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1996-06-26 | — | — | EP | claimed |
| WO-1995007270-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1995-03-16 | — | — | WO | claimed |
| US-5958373-A | Polychelants as contrast enhancing agents | NYCOMED SALUTAR INC. (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0717737-B1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR INC (US) | 1999-04-07 | — | — | EP | disclosed |
| EP-0717737-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007270-A1 | CHELANTS AS CONTRAST ENHANCING AGENTS | NYCOMED SALUTAR, INC. (US) | 1995-03-16 | — | — | WO | disclosed |