⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13864553 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL14587074 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL921947 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL7808998 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL19546062 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL7747263 | 0.77 | SPHK2 (0.34) | — | |
| SCHEMBL13864556 | 0.76 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL27888651 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL27500212 | 0.75 | — | — | |
| SCHEMBL12586887 | 0.75 | SPHK2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648141-B2 | Styrene butadiene rubber with novel styrene incorporation | STYRON EUROPE GMBH (CH) | 2014-02-11 | — | — | US | disclosed |
| EP-2408626-B1 | STYRENE BUTADIENE RUBBER WITH NOVEL STYRENE INCORPORATION | STYRON EUROPE GMBH (CH) | 2013-05-08 | — | — | EP | disclosed |
| EP-2408626-A1 | STYRENE BUTADIENE RUBBER WITH NOVEL STYRENE INCORPORATION | Styron Europe GmbH (CH) | 2012-01-25 | — | — | EP | disclosed |
| US-20120010356-A1 | STYRENE BUTADIENE RUBBER WITH NOVEL STYRENE INCORPORATION | TRINSEO EUROPE GMBH (CH) | 2012-01-12 | — | — | US | disclosed |
| WO-2010107555-A1 | STYRENE BUTADIENE RUBBER WITH NOVEL STYRENE INCORPORATION | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-09-23 | — | — | WO | disclosed |