⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319670 | 0.97 | — | — | |
| SCHEMBL15993420 | 0.84 | — | — | |
| SCHEMBL8513680 | 0.80 | — | — | |
| SCHEMBL633054 | 0.79 | — | — | |
| SCHEMBL27640618 | 0.79 | — | — | |
| SCHEMBL28265356 | 0.77 | — | — | |
| SCHEMBL22654309 | 0.77 | — | — | |
| SCHEMBL1230022 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL19130095 | 0.75 | — | — | |
| SCHEMBL19130355 | 0.75 | — | — |
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-104761723-A | Polysiloxane softening agent with color fixing property | NANFENG DAXIN SCIENCE & TECHNLOGY CO LTD | 2015-07-08 | — | — | CN | claimed |
| CN-104761723-B | A kind of polysiloxane soft agent with fixing property | 南丰县大信科技有限公司 | 2018-04-06 | — | — | CN | disclosed |
| CN-104761723-A | Polysiloxane softening agent with color fixing property | NANFENG DAXIN SCIENCE & TECHNLOGY CO LTD | 2015-07-08 | — | — | CN | disclosed |