⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18159491 | 0.94 | — | — | |
| SCHEMBL1493173 | 0.93 | ESR1 (0.33) | — | |
| SCHEMBL18017243 | 0.91 | ESR1 (0.32) | — | |
| SCHEMBL18017242 | 0.91 | ESR1 (0.32) | — | |
| SCHEMBL18017236 | 0.91 | ESR1 (0.32) | — | |
| SCHEMBL18017240 | 0.91 | ESR1 (0.32) | — | |
| SCHEMBL16769768 | 0.89 | — | — | |
| SCHEMBL5377950 | 0.89 | ESR1 (0.33) | — | |
| SCHEMBL18019496 | 0.87 | ESR1 (0.31) | — | |
| SCHEMBL18017234 | 0.86 | — | — |
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-9862803-B2 | Branched organopolysiloxane and a method for preparing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-01-09 | — | — | US | disclosed |
| US-20160304675-A1 | BRANCHED ORGANOPOLYSILOXANE AND A METHOD FOR PREPARING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-10-20 | — | — | US | disclosed |