⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10698556 | 0.91 | — | — | |
| SCHEMBL397781 | 0.78 | — | — | |
| SCHEMBL18357 | 0.78 | — | — | |
| SCHEMBL8969621 | 0.78 | — | — | |
| SCHEMBL3480976 | 0.78 | — | — | |
| SCHEMBL2554735 | 0.78 | — | — | |
| SCHEMBL5515408 | 0.78 | — | — | |
| SCHEMBL10908 | 0.78 | — | — | |
| SCHEMBL10630673 | 0.68 | — | — | |
| SCHEMBL5025861 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104736236-B | The surface modification of porous matrix holder | 默克专利股份公司 | 2017-06-13 | — | — | CN | disclosed |
| US-6184269-B1 | FLAME RETARDANT MATERIAL | GENERAL MOTORS CORPORATION | 2001-02-06 | — | — | US | disclosed |
| EP-0276986-A2 | Organopolysiloxanes having silethylene linkages | Shin-Etsu Chemical Co., Ltd. (JP) | 1988-08-03 | — | — | EP | disclosed |