⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453975 | 0.91 | — | — | |
| SCHEMBL6913096 | 0.87 | HTR2C (0.33) | — | |
| SCHEMBL7060105 | 0.86 | HTR2C (0.31) | — | |
| SCHEMBL4765617 | 0.85 | MAOA (0.31) | — | |
| SCHEMBL2965606 | 0.81 | — | — | |
| SCHEMBL9171565 | 0.80 | PRKCI (0.32) | — | |
| SCHEMBL1826218 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL29495007 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL2964494 | 0.75 | MAOA (0.33) | — | |
| SCHEMBL9169221 | 0.75 | TYR (0.38) | — |
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-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 |
| EP-0969010-A2 | Transition metal compound and catalyst containing the same for polymerization of olefins | Japan Polyolefins Co., Ltd. (JP) | 2000-01-05 | — | — | EP | disclosed |