⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4239327 | 0.84 | FDPS (0.36) | — | |
| SCHEMBL10917780 | 0.80 | LMNA (0.43) | — | |
| SCHEMBL28553571 | 0.77 | — | — | |
| SCHEMBL1407498 | 0.77 | — | — | |
| SCHEMBL14742780 | 0.72 | — | — | |
| SCHEMBL5932544 | 0.71 | — | — | |
| Thioglycolic Acid SCHEMBL29416230 | 0.67 | HDAC1 (0.38) | — | |
| SCHEMBL14742948 | 0.67 | — | — | |
| SCHEMBL28613469 | 0.67 | — | — | |
| SCHEMBL14742796 | 0.65 | CA2 (0.35) | — |
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-4992293-A | Digestible fat substitutes in foods; side effect reduction | NABISCO BRANDS, INC. (US) | 1991-02-12 | — | — | US | claimed |
| US-4992293-A | Digestible fat substitutes in foods; side effect reduction | NABISCO BRANDS, INC. (US) | 1991-02-12 | — | — | US | disclosed |