⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8434572 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8434576 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8434570 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8136462 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL8639702 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL10985227 | 0.68 | CA1 (0.30) | — | |
| SCHEMBL8077660 | 0.66 | IDO1 (0.42) | — | |
| SCHEMBL11799164 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL7997189 | 0.64 | — | — | |
| SCHEMBL8635030 | 0.62 | TLR4 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6287829-B1 | USING CHIRAL ANCHOR-PROTECTIVE GROUPS | DSM FINE CHEMICAL AUSTRIA NFG GMBH & CO KG (AT) | 2001-09-11 | — | — | US | claimed |
| US-6287829-B1 | USING CHIRAL ANCHOR-PROTECTIVE GROUPS | DSM FINE CHEMICAL AUSTRIA NFG GMBH & CO KG (AT) | 2001-09-11 | — | — | US | disclosed |
| EP-0970235-A1 | PROCESS FOR THE SELECTIVE ENZYMATIC HYDROXYLATION OF ALDEHYDES AND KETONES | DSM Fine Chemicals Austria GmbH (AT) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998041647-A1 | PROCESS FOR THE SELECTIVE ENZYMATIC HYDROXYLATION OF ALDEHYDES AND KETONES | DSM CHEMIE LINZ GMBH (AT) | 1998-09-24 | — | — | WO | disclosed |
| US-4192891-A | PROSTAGLANDINS | E. R. SQUIBB & SONS, INC. (US) | 1980-03-11 | — | — | US | disclosed |