⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964534 | 0.81 | — | — | |
| SCHEMBL2973608 | 0.81 | — | — | |
| SCHEMBL2957707 | 0.78 | — | — | |
| SCHEMBL30676981 | 0.73 | — | — | |
| SCHEMBL2973718 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL29495007 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL1826218 | 0.71 | CYP1A2 (0.32) | — | |
| Lithium SCHEMBL29650829 | 0.70 | CYP1A2 (0.31) | — | |
| SCHEMBL2964317 | 0.70 | — | — | |
| SCHEMBL2963388 | 0.68 | MAOA (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0597362-B1 | Butyl elastomeric compositions | BAYER INC (CA) | 1998-09-02 | — | — | EP | disclosed |
| US-RE34640-E | Polymerizing isobutylene, adding monomer to make block polymer; metal halide, initiator and electron pair doner solvent | UNIVERSITY OF AKRON (US) | 1994-06-14 | — | — | US | disclosed |
| EP-0597362-A2 | Butyl elastomeric compositions | BAYER RUBBER INC. (CA) | 1994-05-18 | — | — | EP | disclosed |
| US-5276094-A | Compositions of butyl elastomers and block copolymers of polyisobutylene | POLYSAR RUBBER CORP. (CA) | 1994-01-04 | — | — | US | disclosed |
| WO-1991011468-A1 | NEW THERMOPLASTIC ELASTOMERS | THE UNIVERSITY OF AKRON (US) | 1991-08-08 | — | — | WO | disclosed |
| US-4946899-A | CARBOCATIONIC POLYMERIZATION INVOLVING HOMOPOLYMERIZATION OF ELASTOMER FOLLOWED BY COPOLYMERIZATION TO ADD GLASSY SEGMENTS; FORMING LIVING POLYMERS WITH A METAL HALIDE, PROMOTER AND SOLVENT MIXTURE | THE UNIVERSITY OF AKRON (US) | 1990-08-07 | — | — | US | disclosed |