⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL571706 | 0.76 | — | — | |
| SCHEMBL10943356 | 0.71 | — | — | |
| SCHEMBL31351433 | 0.70 | — | — | |
| SCHEMBL4077445 | 0.69 | — | — | |
| SCHEMBL4075464 | 0.69 | — | — | |
| SCHEMBL633053 | 0.68 | — | — | |
| SCHEMBL30387179 | 0.67 | — | — | |
| SCHEMBL15796465 | 0.67 | — | — | |
| SCHEMBL27785821 | 0.65 | — | — | |
| SCHEMBL31351444 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6001422-A | AMINOALKYL-MODIFIED DIMETHYLPOLYSILOXANE TO IMPART THE FABRIC MATERIAL WITH EXCELLENT SOFTNESS AND SMOOTHNESS WITH LESS DISADVANTAGES OF YELLOWING | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0870863-A2 | Method for finishing treatment of a fabric material | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |