⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9051892 | 0.90 | KDM4E (0.51) | — | |
| SCHEMBL9052294 | 0.88 | BCHE (0.51) | — | |
| SCHEMBL9053668 | 0.86 | BCHE (0.49) | — | |
| SCHEMBL15801112 | 0.84 | MAPT (0.61) | — | |
| SCHEMBL2952169 | 0.84 | MEN1 (0.65) | — | |
| SCHEMBL5889215 | 0.84 | ALDH1A1 (0.58) | — | |
| SCHEMBL6428994 | 0.82 | GAA (0.70) | — | |
| SCHEMBL7256160 | 0.80 | HPGD (0.50) | — | |
| SCHEMBL9395426 | 0.79 | HSD17B3 (0.55) | — | |
| SCHEMBL5888881 | 0.79 | ALDH1A1 (0.65) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996002250-A1 | HALOPERIDOL ANALOGS AND THE USE THEREOF | ACEA PHARMACEUTICALS INC. (US) | 1996-02-01 | — | — | WO | claimed |
| WO-1996002250-A1 | HALOPERIDOL ANALOGS AND THE USE THEREOF | ACEA PHARMACEUTICALS INC. (US) | 1996-02-01 | — | — | WO | disclosed |