⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7560722 | 0.69 | THRA (0.33) | — | |
| Hexane SCHEMBL28463656 | 0.57 | TSHR (0.58) | — | |
| Hexane SCHEMBL8891406 | 0.54 | TSHR (0.61) | — | |
| SCHEMBL8812293 | 0.53 | — | — | |
| Octane SCHEMBL11684722 | 0.52 | TSHR (0.67) | — | |
| Hexane SCHEMBL11580709 | 0.52 | TSHR (0.58) | — | |
| Hexane SCHEMBL28322670 | 0.51 | TSHR (0.56) | — | |
| Hexane SCHEMBL2147506 | 0.51 | TSHR (0.56) | — | |
| Hexane SCHEMBL11586654 | 0.51 | — | — | |
| Hexane SCHEMBL3932918 | 0.50 | TSHR (0.93) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0659756-B1 | Metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2002-04-03 | — | — | EP | disclosed |
| US-5741868-A | Olefin polymerization process by using a substituted indenyl containing metallocene catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-04-21 | — | — | US | disclosed |
| US-5543373-A | OLEFIN POLYMERIZATION CATALYST | HOECHST AG (DE) | 1996-08-06 | — | — | US | disclosed |
| EP-0659756-A1 | Metallocenes | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-06-28 | — | — | EP | disclosed |