⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7595835 | 0.73 | ADRB2 (0.37) | — | |
| SCHEMBL4447745 | 0.72 | HTR6 (0.44) | — | |
| SCHEMBL28325453 | 0.70 | CHRNB2 (0.36) | — | |
| SCHEMBL27448311 | 0.70 | CHRNB2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL18223005 | 0.68 | CHRNB2 (0.35) | — | |
| SCHEMBL30218378 | 0.68 | — | — | |
| Fluoride SCHEMBL5183962 | 0.66 | CHRNB2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5184845 | 0.66 | CHRNB2 (0.36) | — | |
| SCHEMBL4059907 | 0.66 | MGLL (0.38) | — | |
| SCHEMBL5860378 | 0.66 | CHRNB2 (0.36) | — |
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-0775148-B2 | BISCYCLOPENTADIENYL DIENE COMPLEXES | DOW CHEMICAL CO (US) | 2003-01-02 | — | — | EP | disclosed |