⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL588790 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL30129824 | 0.88 | — | — | |
| SCHEMBL14313901 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL14313911 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL14313898 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL945788 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL2359519 | 0.76 | — | — | |
| SCHEMBL15805611 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL14313847 | 0.76 | MEN1 (0.58) | — | |
| SCHEMBL14313846 | 0.76 | MEN1 (0.58) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0961811-B1 | POLYSILOXANE COMPOUND WHICH IS STABLE DURING STORAGE AND PRODUCES VULCANISATES WHICH CAN BE PERMANENTLY WETTED WITH WATER | WACKER CHEMIE GMBH (DE) | 2001-01-24 | — | — | EP | disclosed |
| EP-0961811-A1 | POLYSILOXANE COMPOUND WHICH IS STABLE DURING STORAGE AND PRODUCES VULCANISATES WHICH CAN BE PERMANENTLY WETTED WITH WATER | Wacker-Chemie GmbH (DE) | 1999-12-08 | — | — | EP | disclosed |
| WO-1998041579-A1 | POLYSILOXANE COMPOUND WHICH IS STABLE DURING STORAGE AND PRODUCES VULCANISATES WHICH CAN BE PERMANENTLY WETTED WITH WATER | WACKER-CHEMIE GMBH (DE) | 1998-09-24 | — | — | WO | disclosed |