⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4368282 | 0.97 | — | — | |
| SCHEMBL28334940 | 0.91 | HSD17B10 (0.42) | — | |
| Propene SCHEMBL8094489 | 0.85 | HSD17B10 (0.52) | — | |
| Formic Acid Methyl Ester SCHEMBL10715294 | 0.76 | HSD17B10 (0.40) | — | |
| SCHEMBL11615914 | 0.75 | — | — | |
| SCHEMBL9517763 | 0.74 | HSD17B10 (0.41) | — | |
| Ethylene SCHEMBL2081704 | 0.68 | HSD17B10 (0.43) | — | |
| SCHEMBL746571 | 0.67 | — | — | |
| SCHEMBL821910 | 0.64 | HSD17B10 (0.59) | — | |
| Ethylene SCHEMBL11522064 | 0.64 | HSD17B10 (0.92) | — |
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-0614468-B1 | POLYONIC TRANSITION METAL CATALYST COMPOSITION | EXXON CHEMICAL PATENTS INC (US) | 1997-09-17 | — | — | EP | disclosed |
| US-5427991-A | Polyionic transition metal catalyst composition | EXXON CHEMICAL PATENTS INC. (US) | 1995-06-27 | — | — | US | disclosed |
| EP-0614468-A1 | POLYONIC TRANSITION METAL CATALYST COMPOSITION. | EXXON CHEMICAL PATENTS INC (US) | 1994-09-14 | — | — | EP | disclosed |
| WO-1993011172-A1 | POLYONIC TRANSITION METAL CATALYST COMPOSITION | EXXON CHEMICAL PATENTS INC. (US) | 1993-06-10 | — | — | WO | disclosed |