⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813364 | 0.98 | — | — | |
| SCHEMBL29775116 | 0.98 | — | — | |
| SCHEMBL3646018 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL819624 | 0.96 | — | — | |
| Chloromethane SCHEMBL3686720 | 0.95 | — | — | |
| SCHEMBL814590 | 0.90 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1978361 | 0.89 | GPR3 (0.30) | — | |
| SCHEMBL1655227 | 0.88 | KCNH2 (0.32) | — | |
| SCHEMBL4293662 | 0.86 | ALDH1A1 (0.40) | — | |
| SCHEMBL61573 | 0.85 | MAOB (0.39) | — |
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-2041190-A1 | PROCESS TO PRODUCE POLYOLEFINS USING METALLOCENE CATALYSTS | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008010862-A1 | PROCESS TO PRODUCE POLYOLEFINS USING METALLOCENE CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-01-24 | — | — | WO | disclosed |