⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6250606 | 1.00 | — | — | |
| SCHEMBL6253531 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL6252073 | 0.88 | — | — | |
| SCHEMBL27446126 | 0.88 | — | — | |
| SCHEMBL1025348 | 0.82 | NPC1 (0.32) | — | |
| SCHEMBL6255076 | 0.81 | — | — | |
| SCHEMBL6253344 | 0.81 | TAAR1 (0.37) | — | |
| SCHEMBL3711346 | 0.77 | — | — | |
| SCHEMBL6253565 | 0.77 | CALM1 (0.37) | — | |
| SCHEMBL6254543 | 0.76 | — | — |
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-116410385-A | Polyolefin elastomer, preparation method thereof and metallocene catalyst used in polyolefin elastomer | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| CN-116410385-A | Polyolefin elastomer, preparation method thereof and metallocene catalyst used in polyolefin elastomer | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| EP-1629018-A1 | CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE | Univation Technologies LLC (US) | 2006-03-01 | — | — | EP | disclosed |
| US-6911508-B2 | Class of metallocenes and method of producing polyethylene | UNIVATION TECHNOLOGIES, LLC (US) | 2005-06-28 | — | — | US | disclosed |
| US-6849753-B2 | Process for preparation of half-vanadocene compound | NICHIA CORPORATION (JP) | 2005-02-01 | — | — | US | disclosed |
| WO-2004108771-A1 | CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE | UNIVATION TECHNOLOGIES, LLC (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040249096-A1 | Class of metallocenes and method of producing polyethylene | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-09 | — | — | US | disclosed |
| EP-1312610-B1 | Process for preparation of half-vanadocene compound | NICHIA CORP (JP) | 2004-09-08 | — | — | EP | disclosed |
| US-20030109733-A1 | Process for preparation of half-vanadocene compound | UBE INDUSTRIES, LTD. (JP) | 2003-06-12 | — | — | US | disclosed |
| EP-1312610-A1 | Process for preparation of half-vanadocene compound | Nichia Corporation (JP) | 2003-05-21 | — | — | EP | disclosed |