⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431680 | 1.00 | — | — | |
| SCHEMBL28995029 | 0.96 | — | — | |
| SCHEMBL2946496 | 0.96 | — | — | |
| SCHEMBL4739462 | 0.96 | — | — | |
| SCHEMBL1331977 | 0.95 | — | — | |
| SCHEMBL523 | 0.95 | — | — | |
| SCHEMBL5305593 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL9866292 | 0.95 | — | — | |
| SCHEMBL1331774 | 0.95 | — | — | |
| SCHEMBL1330344 | 0.95 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4200346-A1 | STORAGE-STABLE POLYOL FORMULATIONS | Covestro Deutschland AG (DE) | 2023-06-28 | — | — | EP | disclosed |
| WO-2014113326-A2 | PLANT OIL-BASED MATERIALS | NDSU RESEARCH FOUNDATION (US) | 2014-07-24 | — | — | WO | disclosed |
| CN-101397246-B | Method for preparing 2,3-dialkyl succinic acid and ester compounds thereof | CHINA PETROCHEMICAL CORP | 2011-08-03 | — | — | CN | disclosed |
| CN-101397246-A | Method for preparing 2,3-dialkyl succinic acid and ester compounds thereof | CHINA PETROLEUM & CHEMICAL (CN) | 2009-04-01 | — | — | CN | disclosed |
| EP-1200547-A1 | WATER-SOFTENING AND DETERGENT COMPOSITIONS | UNILEVER N.V. (NL) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001010995-A1 | WATER-SOFTENING AND DETERGENT COMPOSITIONS | UNILEVER N.V. (NL) | 2001-02-15 | — | — | WO | disclosed |
| CN-87100658-A | 1,4-benzoxazine derivatives, their preparation and application | — | 1987-09-09 | — | — | CN | disclosed |
| US-4292369-A | Fireproof laminates | BRIDGESTONE TIRE COMPANY LIMITED (JP) | 1981-09-29 | — | — | US | disclosed |