⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19615288 | 0.79 | CYP11B1 (0.31) | — | |
| SCHEMBL24378027 | 0.77 | PTGDR2 (0.34) | — | |
| SCHEMBL14052802 | 0.60 | ACHE (0.32) | — | |
| SCHEMBL16425774 | 0.60 | ELAVL1 (0.31) | — | |
| SCHEMBL5482888 | 0.60 | KMT2A (0.36) | — | |
| SCHEMBL12093250 | 0.59 | HSD17B1 (0.44) | — | |
| SCHEMBL11460835 | 0.57 | MEN1 (0.49) | — | |
| SCHEMBL3436882 | 0.57 | GPR3 (0.36) | — | |
| SCHEMBL20165136 | 0.56 | MAOB (0.38) | — | |
| SCHEMBL23171821 | 0.56 | DAO (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |