⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11139947 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL21874829 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL22848 | 0.74 | — | — | |
| SCHEMBL27807635 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL4271375 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL8106715 | 0.70 | TSHR (0.33) | — | |
| Bicarbonate SCHEMBL9752418 | 0.69 | CTSK (0.34) | — | |
| SCHEMBL3037132 | 0.69 | — | — | |
| Butane SCHEMBL9782292 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL28514773 | 0.67 | TSHR (0.50) | — |
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-105102533-A | Contact member and structure comprising same | TECHNO POLYMER CO LTD | 2015-11-25 | — | — | CN | disclosed |
| CN-102190764-B | Polyethylene resin composition | AXIAMATERIALS CO LTD | 2013-10-23 | — | — | CN | disclosed |
| CN-102190764-A | Polyethylene resin composition | AXIAMATERIALS CO LTD | 2011-09-21 | — | — | CN | disclosed |