⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6303733 | 0.89 | TSHR (0.33) | — | |
| SCHEMBL6298654 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL8737414 | 0.76 | — | — | |
| SCHEMBL914278 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL818291 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL5909684 | 0.65 | ADRB2 (0.39) | — | |
| SCHEMBL11876814 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL3479674 | 0.61 | — | — | |
| SCHEMBL5609324 | 0.61 | TSHR (0.40) | — | |
| SCHEMBL1201252 | 0.61 | TSHR (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020026012-A1 | CATALYST COMPOSITION | EQUISTAR CHEMICALS, LP | 2002-02-28 | — | — | US | disclosed |
| EP-0737694-B1 | PROCESS FOR PRODUCING OLEFIN POLYMER AND ETHYLENE POLYMER | IDEMITSU KOSAN CO (JP) | 2001-06-06 | — | — | EP | disclosed |
| US-5739225-A | CATALYTIC HOMO- OR COPOLYMERIZATION IN PRESENCE OF A MIXTURE COMPRISING A TRANSITION METAL COMPOUND AND AN ALUMOXANE | IDEMITSU KOSAN CO., LTD. (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0737694-A1 | PROCESS FOR PRODUCING OLEFIN POLYMER AND ETHYLENE POLYMER | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1996-10-16 | — | — | EP | disclosed |