⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7073887 | 0.73 | — | — | |
| SCHEMBL2735017 | 0.72 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL27569412 | 0.71 | — | — | |
| SCHEMBL8130721 | 0.71 | — | — | |
| Bromide SCHEMBL20447550 | 0.71 | — | — | |
| SCHEMBL12435319 | 0.69 | NCF1 (0.46) | — | |
| SCHEMBL9965910 | 0.69 | GNAI3 (0.48) | — | |
| SCHEMBL188777 | 0.69 | — | — | |
| SCHEMBL13775366 | 0.69 | NCF1 (0.46) | — | |
| SCHEMBL220016 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103539785-A | Cannabinoid receptor modulators | ARENA PHARM INC | 2014-01-29 | — | — | CN | disclosed |
| CN-103492369-A | Cannabinoid receptor modulators | ARENA PHARM INC | 2014-01-01 | — | — | CN | disclosed |
| CN-101535276-B | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101535276-A | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC (US) | 2009-09-16 | — | — | CN | disclosed |