⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14320336 | 0.75 | HSD17B10 (0.32) | — | |
| SCHEMBL3834339 | 0.75 | — | — | |
| SCHEMBL9179374 | 0.75 | CA12 (0.36) | — | |
| SCHEMBL8379474 | 0.73 | CA12 (0.35) | — | |
| SCHEMBL14661540 | 0.72 | — | — | |
| Ether SCHEMBL28750614 | 0.71 | CA12 (0.47) | — | |
| SCHEMBL19577727 | 0.71 | HSD17B10 (0.40) | — | |
| SCHEMBL9753617 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL17373112 | 0.67 | HIF1A (0.43) | — | |
| SCHEMBL15834618 | 0.67 | HIF1A (0.43) | — |
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-0902039-B1 | Polyurea foam made from a partially aminated polyether polyamine | HUNTSMAN SPEC CHEM CORP (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0902039-A1 | Polyurea foam made from a partially aminated polyether polyamine | Huntsman Petrochemical Corporation (US) | 1999-03-17 | — | — | EP | disclosed |
| US-5700846-A | Polyurea foam made from a partially aminated polyether polyamine | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 1997-12-23 | — | — | US | disclosed |
| US-5270014-A | Apparatus for producing a foamed mass of a polyurea elastomer | KRAUSS-MAFFEI AG (DE) | 1993-12-14 | — | — | US | disclosed |
| US-5189073-A | From polyetheramine and polyisocyanate; using tertiary amine catalyst and halogen-free blowing agent | TEXACO CHEMICAL CO. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5157059-A | Feeding polyetheramine, polyisocyanate, and water into mold to form low density foams | KRAUSS-MAFFEI AG (DE) | 1992-10-20 | — | — | US | disclosed |
| EP-0504447-A1 | Process and device for the preparation of foamed masses based on polyurea-elastomers | Krauss-Maffei Aktiengesellschaft (DE) | 1992-09-23 | — | — | EP | disclosed |
| EP-0504448-A1 | Process for the preparation of polyurea elastomerbased foamed masses | Huntsman International Trading Deutschland GmbH (DE) | 1992-09-23 | — | — | EP | disclosed |