⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27422431 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5609201 | 0.73 | CYP11B2 (0.31) | — | |
| SCHEMBL9716872 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL23139115 | 0.64 | MAOA (0.33) | — | |
| SCHEMBL3843099 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL381704 | 0.61 | — | — | |
| Bromide SCHEMBL4477659 | 0.61 | — | — | |
| Fluoride SCHEMBL16424023 | 0.60 | — | — | |
| Bromide SCHEMBL16424595 | 0.60 | — | — | |
| SCHEMBL2353111 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1171097-A | Norbornene compound having chain polyene group and unsaturated ethylene copolymer prepared using the same | MITSUI PETROCHEMICAL IND (JP) | 1998-01-21 | — | — | CN | disclosed |