⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819625 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL18736437 | 0.79 | — | — | |
| SCHEMBL29129696 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL15102793 | 0.75 | — | — | |
| SCHEMBL19003640 | 0.74 | — | — | |
| SCHEMBL9680574 | 0.70 | GRM4 (0.31) | — | |
| SCHEMBL18894575 | 0.67 | MAPT (0.46) | — | |
| SCHEMBL3676079 | 0.67 | — | — | |
| SCHEMBL5712413 | 0.67 | — | — | |
| SCHEMBL28794887 | 0.64 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102361888-B | Polymers functionalized with polycyano compounds | BRIDGESTONE CORP | 2013-11-20 | — | — | CN | disclosed |
| CN-102361888-A | Polymers functionalized with polycyano compounds | BRIDGESTONE CORP | 2012-02-22 | — | — | CN | disclosed |
| EP-2382241-A2 | POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS | Bridgestone Corporation (JP) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010085631-A2 | POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS | BRIDGESTONE CORPORATION (JP) | 2010-07-29 | — | — | WO | disclosed |
| US-5233054-A | Dehydrogenating, brominating the halogen substituted hexa- or tetra-hydrophthalic anhydride in the presence of free radical catalysts | OCCIDENTAL CHEMICAL CORPORATION (US) | 1993-08-03 | — | — | US | disclosed |
| US-5206391-A | Reacting BR2 with halohydrophthalic anhydride, reacting HBR with CL2 to regenerate bromine | OCCIDENTAL CHEMICAL CORPORATION (US) | 1993-04-27 | — | — | US | disclosed |
| US-5049682-A | Halogenation | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0417691-A2 | Process for the preparation of halophthalic anhydrides | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4221916-A | Oxidative esterification process | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-09 | — | — | US | disclosed |
| US-4220800-A | Oxidative esterification process | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-02 | — | — | US | disclosed |