⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3698446 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL3693855 | 0.97 | — | — | |
| SCHEMBL501949 | 0.87 | — | — | |
| SCHEMBL14759610 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL11579416 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL3695352 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL10631303 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL6745588 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL14760261 | 0.87 | TSHR (0.57) | — | |
| SCHEMBL14759596 | 0.87 | TSHR (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010101560-A1 | BIS[(ALKYLAMINO)ALKYL]AMINES | ALBEMARLE CORPORATION (US) | 2010-09-10 | — | — | WO | disclosed |
| JP-2010047512-A | ORAL COMPOSITION | KITASATO INSTITUTE | 2010-03-04 | — | — | JP | disclosed |
| WO-2010021370-A1 | ORAL COMPOSITION | 学校法人北里研究所 (JP) | 2010-02-25 | — | — | WO | disclosed |