⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1831745 | 0.75 | — | — | |
| SCHEMBL246487 | 0.69 | — | — | |
| SCHEMBL14974857 | 0.68 | — | — | |
| SCHEMBL5198091 | 0.66 | — | — | |
| SCHEMBL4903074 | 0.66 | — | — | |
| SCHEMBL12825628 | 0.64 | — | — | |
| SCHEMBL29489277 | 0.62 | TAS1R3 (0.31) | — | |
| SCHEMBL30428128 | 0.62 | TSHR (0.34) | — | |
| SCHEMBL30338254 | 0.61 | TSHR (0.36) | — | |
| SCHEMBL30239293 | 0.61 | TAS1R3 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688921-A2 | DIBLOCK COPOLYMERS PREPARED BY CROSS METATHESIS | Exxonmobil Chemical Patents Inc. (US) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012134722-A2 | DIBLOCK COPOLYMERS PREPARED BY CROSS METATHESIS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2012-10-04 | — | — | WO | disclosed |