⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13857686 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL13555654 | 0.78 | ACE (0.30) | — | |
| SCHEMBL13857685 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL10073576 | 0.76 | PAX8 (0.45) | — | |
| SCHEMBL10072974 | 0.76 | PAX8 (0.45) | — | |
| SCHEMBL12251245 | 0.76 | PAX8 (0.45) | — | |
| SCHEMBL13555653 | 0.75 | — | — | |
| SCHEMBL21549702 | 0.72 | CTSS (0.31) | — | |
| SCHEMBL19355274 | 0.72 | CTSS (0.31) | — | |
| SCHEMBL2920884 | 0.71 | — | — |
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-9415114-B2 | Conformations of divergent peptides with mineral binding affinity | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2016-08-16 | — | — | US | disclosed |
| US-20150320876-A1 | CONFORMATIONS OF DIVERGENT PEPTIDES WITH MINERAL BINDING AFFINITY | KAOHSIUNG MEDICAL UNIVERSITY (TW) | 2015-11-12 | — | — | US | disclosed |