⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7599096 | 0.88 | CA1 (0.32) | — | |
| SCHEMBL7599370 | 0.87 | CA1 (0.38) | — | |
| SCHEMBL7597364 | 0.83 | — | — | |
| SCHEMBL7593643 | 0.83 | CYP1A2 (0.38) | — | |
| SCHEMBL16411427 | 0.78 | — | — | |
| SCHEMBL7595891 | 0.77 | CA1 (0.45) | — | |
| SCHEMBL7591926 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL7595430 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL7593133 | 0.73 | — | — | |
| SCHEMBL7597647 | 0.71 | CYP1A2 (0.42) | — |
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-0894802-B1 | Silane compound | NIPPON MITSUBISHI OIL CORP (JP) | 2002-11-06 | — | — | EP | disclosed |
| US-6150549-A | Silane compound | NIPPON MITSUBISHI OIL CORPORATION (JP) | 2000-11-21 | — | — | US | disclosed |
| EP-0894802-A2 | Silane compound | NIPPON OIL CO. LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |