⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL7933877 | 0.76 | — | — | |
| SCHEMBL814006 | 0.74 | — | — | |
| Butane SCHEMBL7933864 | 0.70 | HTR6 (0.30) | — | |
| SCHEMBL6577843 | 0.70 | HTR2A (0.35) | — | |
| SCHEMBL28199616 | 0.70 | HTR2A (0.35) | — | |
| SCHEMBL28310707 | 0.69 | HTR2A (0.38) | — | |
| Indene SCHEMBL28875653 | 0.69 | CA1 (0.41) | — | |
| SCHEMBL60674 | 0.68 | HTR2A (0.40) | — | |
| SCHEMBL29474414 | 0.68 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL715203 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325073-B1 | METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES | EXXONMOBIL CHEM PATENTS INC (US) | 2007-05-09 | — | — | EP | disclosed |