⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9003645 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9003526 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL9003389 | 0.69 | — | — | |
| SCHEMBL9003367 | 0.65 | RAB9A (0.35) | — | |
| SCHEMBL9003615 | 0.61 | RAB9A (0.50) | — | |
| SCHEMBL3130373 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL3139373 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL7578150 | 0.59 | ALDH1A1 (0.42) | — | |
| SCHEMBL244777 | 0.58 | TSHR (0.44) | — | |
| SCHEMBL107752 | 0.58 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |