⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10485782 | 0.62 | — | — | |
| SCHEMBL7594074 | 0.62 | — | — | |
| SCHEMBL9150452 | 0.62 | — | — | |
| SCHEMBL21049673 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL474807 | 0.60 | ALDH1A1 (0.36) | — | |
| Ethane SCHEMBL353672 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL184295 | 0.58 | — | — | |
| SCHEMBL706367 | 0.58 | — | — | |
| SCHEMBL5535544 | 0.58 | — | — | |
| SCHEMBL1900614 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7126390-A | — | — | None | — | — | JP | disclosed |
| JP-H07126390-A | PRODUCTION OF T-BUTOXYLATED POLYSILOXANE | SHIN ETSU CHEM CO LTD | 1995-05-16 | — | — | JP | disclosed |