⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15764144 | 0.65 | DRD2 (0.33) | — | |
| SCHEMBL26032287 | 0.64 | MAOA (0.42) | — | |
| SCHEMBL23416752 | 0.62 | — | — | |
| SCHEMBL23416651 | 0.62 | CCR1 (0.31) | — | |
| SCHEMBL25975814 | 0.60 | — | — | |
| SCHEMBL25975826 | 0.59 | DRD2 (0.33) | — | |
| SCHEMBL9909846 | 0.59 | RAB9A (0.36) | — | |
| SCHEMBL10238797 | 0.58 | DRD2 (0.40) | — | |
| SCHEMBL16692270 | 0.58 | DRD2 (0.30) | — | |
| SCHEMBL16692277 | 0.58 | GCK (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1387827-B1 | SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES | BASELL POLYOLEFINE GMBH (DE) | 2008-09-24 | — | — | EP | disclosed |