⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8330987 | 1.00 | — | — | |
| SCHEMBL8328965 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL8328966 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL8331316 | 0.82 | CES1 (0.40) | — | |
| SCHEMBL8331247 | 0.80 | PNMT (0.30) | — | |
| SCHEMBL8331250 | 0.80 | PNMT (0.30) | — | |
| SCHEMBL8329016 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL8329012 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL8325695 | 0.77 | MAOA (0.34) | — | |
| SCHEMBL8325697 | 0.77 | MAOA (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0529636-B1 | Novel isatinoxime derivatives, their preparation and use | NEUROSEARCH AS (DK) | 1999-06-23 | — | — | EP | disclosed |
| US-5436250-A | Isatineoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1995-07-25 | — | — | US | disclosed |
| US-5242918-A | Isatinoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1993-09-07 | — | — | US | disclosed |
| WO-1993005043-A1 | NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1993-03-18 | — | — | WO | disclosed |
| EP-0529636-A1 | Novel isatinoxime derivatives, their preparation and use | NEUROSEARCH A/S (DK) | 1993-03-03 | — | — | EP | disclosed |