⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7209490 | 0.53 | — | — | |
| SCHEMBL10505019 | 0.48 | IDO1 (0.42) | — | |
| SCHEMBL438580 | 0.43 | — | — | |
| SCHEMBL7879944 | 0.42 | PLAU (0.45) | — | |
| SCHEMBL11671198 | 0.41 | SRD5A1 (0.55) | — | |
| SCHEMBL14220486 | 0.41 | — | — | |
| SCHEMBL17935650 | 0.41 | — | — | |
| SCHEMBL3440664 | 0.40 | — | — | |
| SCHEMBL17713603 | 0.40 | KDM4E (0.31) | — | |
| SCHEMBL13020958 | 0.40 | PIM1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020019380-A1 | Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds | LES LABORATOIRES SERVIER (FR) | 2002-02-14 | — | — | US | disclosed |