⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4664459 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL28973514 | 0.66 | — | — | |
| SCHEMBL4377562 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL29078676 | 0.62 | L3MBTL1 (0.41) | — | |
| SCHEMBL28672273 | 0.62 | — | — | |
| SCHEMBL1982082 | 0.61 | DNM1 (0.36) | — | |
| SCHEMBL9070171 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL29124128 | 0.60 | ACACB (0.31) | — | |
| SCHEMBL8608001 | 0.60 | — | — | |
| SCHEMBL28471373 | 0.59 | OPRM1 (0.39) | — |
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-0828761-A1 | BIMODALIZATION OF POLYMER MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS INC. (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037521-A1 | BIMODALIZATION OF POLYMER MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS INC. (US) | 1996-11-28 | — | — | WO | disclosed |
| US-5578682-A | MOLECULAR WEIGHT CONTROL | EXXON CHEMICAL PATENTS INC. (US) | 1996-11-26 | — | — | US | disclosed |