⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970152 | 0.73 | — | — | |
| SCHEMBL1828102 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL1827817 | 0.71 | — | — | |
| SCHEMBL28167352 | 0.69 | — | — | |
| SCHEMBL1829074 | 0.69 | — | — | |
| SCHEMBL3482311 | 0.69 | — | — | |
| SCHEMBL1829570 | 0.69 | — | — | |
| Hexane SCHEMBL29023775 | 0.68 | TSHR (0.58) | — | |
| Benzene SCHEMBL28857166 | 0.67 | TSHR (0.33) | — | |
| Benzene SCHEMBL28857164 | 0.67 | TSHR (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012067375-A2 | BIO-ADHESIVE AGENT COMPRISING SURFACE-MODIFIED HYDROXYAPATITE AND USE THEREOF | UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNGHEE UNIVERSITY (KR) | 2012-05-24 | — | — | WO | disclosed |