⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911719 | 0.87 | — | — | |
| SCHEMBL8574861 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL5006754 | 0.77 | — | — | |
| SCHEMBL5340469 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL30388588 | 0.75 | — | — | |
| SCHEMBL9728177 | 0.75 | — | — | |
| SCHEMBL8778042 | 0.75 | — | — | |
| SCHEMBL7535602 | 0.75 | — | — | |
| SCHEMBL11025629 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6357837 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0969010-B1 | Transition metal compound and catalyst containing the same for polymerization of olefins | JAPAN POLYOLEFINS CO LTD (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-6352953-B1 | TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN | JAPAN POLYOLEFINS CO., LTD. (JP) | 2002-03-05 | — | — | US | disclosed |
| US-6150544-A | Transition metal compound and catalyst containing the same for polymerization of olefins | JAPAN POLYOLEFINS CO., LTD. (JP) | 2000-11-21 | — | — | US | disclosed |