⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9465032 | 0.65 | CYP2A6 (0.42) | — | |
| SCHEMBL28929770 | 0.62 | KMT2A (0.45) | — | |
| SCHEMBL9465108 | 0.61 | KDM4E (0.54) | — | |
| SCHEMBL9465922 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL1494176 | 0.61 | KDM4E (0.43) | — | |
| SCHEMBL9465381 | 0.61 | CYP1A2 (0.33) | — | |
| SCHEMBL301040 | 0.61 | KMT2A (0.44) | — | |
| SCHEMBL9465414 | 0.58 | CYP2A6 (0.44) | — | |
| SCHEMBL9465153 | 0.56 | HCAR2 (0.30) | — | |
| SCHEMBL9465423 | 0.56 | PDPK1 (0.42) | — |
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-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |