⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5979250 | 0.74 | CXCR4 (0.32) | — | |
| SCHEMBL8048064 | 0.74 | CXCR4 (0.32) | — | |
| Piperazine SCHEMBL28127249 | 0.74 | CXCR4 (0.32) | — | |
| SCHEMBL8200666 | 0.74 | CXCR4 (0.32) | — | |
| SCHEMBL8697341 | 0.74 | CXCR4 (0.32) | — | |
| SCHEMBL7935032 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7934511 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7936276 | 0.71 | — | — | |
| SCHEMBL13044314 | 0.71 | HTR6 (0.36) | — | |
| SCHEMBL7925697 | 0.70 | CHRNB2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6169152-B1 | COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE | JSR CORPORATION (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0816387-A1 | Olefin-polymerizing catalyst | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1998-01-07 | — | — | EP | disclosed |