⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22028070 | 1.00 | ALDH1A1 (0.53) | — | |
| SCHEMBL1269082 | 1.00 | — | — | |
| SCHEMBL1269077 | 1.00 | — | — | |
| SCHEMBL11123615 | 0.96 | ALDH1A1 (0.56) | — | |
| SCHEMBL65570 | 0.96 | — | — | |
| SCHEMBL7827565 | 0.96 | — | — | |
| SCHEMBL65569 | 0.96 | — | — | |
| SCHEMBL11123616 | 0.96 | ALDH1A1 (0.56) | — | |
| SCHEMBL160417 | 0.96 | — | — | |
| SCHEMBL31241402 | 0.93 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9087612-A | — | — | None | — | — | JP | disclosed |
| CN-103459027-A | Compositions comprising phosphonate catalysts and methods of making and using the compositions | DOW CORNING | 2013-12-18 | — | — | CN | disclosed |
| EP-0780420-B1 | Method of controlling the emission of volatile oxime by products from silicone compositions curable in presence of moisture | DOW CORNING GMBH (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-6090904-A | ORGANIC DI-ISOCYANATE SELECTED FROM THE GROUP CONSISTING OF ALIPHATIC DI-ISOCYANATES AND DIPHENYLMETHANE DI-ISOCYANATE WHICH REACTS WITH THE VOLATILE OXIME CONDENSATION BY-PRODUCT TO CONTROL ITS EMISSION FROM THE COMPOSITION AS IT CURES. | ARA WERK KRAMER GMBH (DE) | 2000-07-18 | — | — | US | disclosed |
| EP-0780420-A2 | Silicone compositions curable in presence of moisture | ARA-WERK KRÄMER GMBH (DE) | 1997-06-25 | — | — | EP | disclosed |
| JP-H0987612-A | ONE-PART ROOM TEMPERATURE-CURING TYPE SEALING AGENT COMPOSITION | NISSAN MOTOR CO LTD | 1997-03-31 | — | — | JP | disclosed |