⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23376909 | 0.78 | — | — | |
| SCHEMBL12646169 | 0.78 | — | — | |
| SCHEMBL13702479 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL784711 | 0.78 | ESR1 (0.44) | — | |
| SCHEMBL10077436 | 0.78 | SLC6A4 (0.43) | — | |
| SCHEMBL12361552 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL12361680 | 0.78 | AOC3 (0.39) | — | |
| SCHEMBL14646064 | 0.78 | — | — | |
| SCHEMBL11960807 | 0.78 | ESR1 (0.44) | — | |
| SCHEMBL19184276 | 0.78 | RIPK1 (0.33) | — |
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-9611203-B2 | Method for olefin hydroformylation reaction using solid heterogeneous catalyst | DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2017-04-04 | — | — | US | disclosed |