⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10754202 | 0.97 | KDM4E (0.33) | — | |
| SCHEMBL2899477 | 0.97 | KDM4E (0.33) | — | |
| SCHEMBL23706664 | 0.94 | — | — | |
| SCHEMBL16915510 | 0.88 | — | — | |
| SCHEMBL198495 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL11840842 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL677761 | 0.80 | LTA4H (0.41) | — | |
| SCHEMBL11836346 | 0.80 | LTA4H (0.41) | — | |
| SCHEMBL7276666 | 0.80 | TSHR (0.34) | — | |
| SCHEMBL676923 | 0.79 | LTA4H (0.43) | — |
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-3971825-A | (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS | SANKYO COMPANY LIMITED (JA) | 1976-07-27 | — | — | US | disclosed |