⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3945940 | 0.72 | CYP3A4 (0.30) | — | |
| SCHEMBL20651183 | 0.63 | — | — | |
| SCHEMBL827322 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL28085440 | 0.61 | — | — | |
| SCHEMBL1426587 | 0.61 | — | — | |
| SCHEMBL6685872 | 0.61 | — | — | |
| SCHEMBL13625329 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL20526367 | 0.57 | — | — | |
| SCHEMBL15068452 | 0.57 | CA1 (0.46) | — | |
| SCHEMBL15584 | 0.57 | — | — |
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-2008071455-A1 | BICYCLIC ACYLTRYPTOPHANOLS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-19 | — | — | WO | claimed |