⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11942013 | 0.77 | — | — | |
| SCHEMBL11942012 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL27335248 | 0.75 | — | — | |
| SCHEMBL27612047 | 0.75 | — | — | |
| SCHEMBL12531470 | 0.75 | SLC6A3 (0.34) | — | |
| Bromide SCHEMBL27685804 | 0.73 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL2642564 | 0.73 | — | — | |
| SCHEMBL11941874 | 0.71 | TYR (0.39) | — | |
| SCHEMBL2771532 | 0.69 | RAB9A (0.38) | — | |
| SCHEMBL5342636 | 0.68 | CYP19A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1043230-C | Serotoninergic ergoline derivatives | ERBA CARLO SPA (IT) | 1999-05-05 | — | — | CN | disclosed |
| CN-1122333-A | Tetrazolinone derivatives | BAYER AGROCHEM KK (JP) | 1996-05-15 | — | — | CN | disclosed |
| CN-1093087-A | Serotoninergic ergoline derivatives | ERBA CARLO SPA (IT) | 1994-10-05 | — | — | CN | disclosed |