⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11603064 | 0.87 | — | — | |
| SCHEMBL11605436 | 0.85 | SGMS2 (0.32) | — | |
| SCHEMBL11603181 | 0.78 | — | — | |
| SCHEMBL11604453 | 0.78 | — | — | |
| SCHEMBL11605795 | 0.76 | PTGER1 (0.35) | — | |
| SCHEMBL11603195 | 0.75 | PTGER2 (0.32) | — | |
| SCHEMBL11601025 | 0.74 | CNR2 (0.43) | — | |
| SCHEMBL11603717 | 0.71 | NR5A2 (0.34) | — | |
| SCHEMBL11602367 | 0.68 | NR5A2 (0.36) | — | |
| SCHEMBL11601661 | 0.65 | SIGMAR1 (0.32) | — |
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-4092344-A | Cyclohexenyl resorcinol derivatives | ELI LILLY AND COMPANY (US) | 1978-05-30 | — | — | US | disclosed |