⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183551 | 0.86 | — | — | |
| SCHEMBL901053 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL17514990 | 0.76 | TDP1 (0.60) | — | |
| SCHEMBL10500523 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL20163169 | 0.74 | — | — | |
| SCHEMBL17537579 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL257119 | 0.74 | — | — | |
| SCHEMBL183237 | 0.74 | — | — | |
| SCHEMBL24304833 | 0.72 | ALDH1A1 (0.55) | — | |
| SCHEMBL11409042 | 0.72 | ALDH1A1 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993014088-A1 | ANTIHISTAMINIC PIPERAZINYL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-22 | — | — | WO | disclosed |