⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12726662 | 1.00 | — | — | |
| SCHEMBL711121 | 1.00 | — | — | |
| SCHEMBL6129598 | 0.72 | — | — | |
| SCHEMBL6129612 | 0.72 | — | — | |
| SCHEMBL1760706 | 0.72 | — | — | |
| SCHEMBL11034397 | 0.72 | — | — | |
| SCHEMBL1760705 | 0.72 | — | — | |
| SCHEMBL13678487 | 0.72 | — | — | |
| SCHEMBL1760774 | 0.72 | — | — | |
| SCHEMBL1659120 | 0.72 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118495851-B | Composite graphene water reducer and preparation method thereof | 深圳市天祥新材料有限公司 | 2024-09-17 | — | — | CN | claimed |
| CN-118495851-A | Composite graphene water reducer and preparation method thereof | 深圳市天祥新材料有限公司 | 2024-08-16 | — | — | CN | claimed |
| US-11685705-B2 | Method for producing α-allylated cycloalkanone | KAO CORPORATION (JP) | 2023-06-27 | — | — | US | disclosed |
| WO-2011073843-A1 | ODORANT ALCOHOLS | FIRMENICH SA (CH) | 2011-06-23 | — | — | WO | disclosed |
| US-20110098488-A1 | Process for Oxidizing Organic Substrates By Means of Singlet Oxygen Using a Modified Molybdate LDH Catalyst | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2011-04-28 | — | — | US | disclosed |
| US-20110098488-A1 | Process for Oxidizing Organic Substrates By Means of Singlet Oxygen Using a Modified Molybdate LDH Catalyst | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2011-04-28 | — | — | US | disclosed |
| US-7745654-B2 | Process for the preparation of vinyl- or allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-7304184-B2 | Process for producing allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2007-12-04 | — | — | US | disclosed |
| EP-1840115-A2 | Process for the preparation of vinyl- or allyl-containing compounds | Daicel Chemical Industries, Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |
| US-20070213549-A1 | Process for the preparation of vinyl- or allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. | 2007-09-13 | — | — | US | disclosed |
| US-20040171885-A1 | Process for producing allyl-containing compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-02 | — | — | US | disclosed |
| EP-1452516-A2 | Process for producing allyl-containing compounds | Daicel Chemical Industries, Ltd. (JP) | 2004-09-01 | — | — | EP | disclosed |
| US-4111917-A | POLYURETHANES | W. R. GRACE & CO. (US) | 1978-09-05 | — | — | US | disclosed |