⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297042 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL10533290 | 0.82 | BBOX1 (0.32) | — | |
| SCHEMBL335769 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL4630071 | 0.80 | — | — | |
| SCHEMBL13853170 | 0.80 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL8897376 | 0.78 | ESR1 (0.33) | — | |
| SCHEMBL7787435 | 0.78 | ESR1 (0.37) | — | |
| SCHEMBL21923150 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8971809 | 0.78 | ESR1 (0.37) | — | |
| SCHEMBL19755901 | 0.78 | ESR1 (0.37) | — |
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-20090156485-A1 | METHOD FOR COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES WHICH SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS | BASE SE (DE) | 2009-06-18 | — | — | US | disclosed |
| US-20090098076-A1 | Method For the Production of a Keratin-Binding Effector Molecule | BASF SE (DE) | 2009-04-16 | — | — | US | disclosed |