⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9815032 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL2914212 | 0.79 | — | — | |
| SCHEMBL1547219 | 0.76 | — | — | |
| SCHEMBL1064453 | 0.75 | — | — | |
| SCHEMBL127797 | 0.75 | — | — | |
| SCHEMBL3989593 | 0.74 | — | — | |
| SCHEMBL60078 | 0.73 | CYP1A2 (0.42) | — | |
| SCHEMBL10447403 | 0.73 | CYP1A2 (0.42) | — | |
| SCHEMBL10447402 | 0.73 | CYP1A2 (0.42) | — | |
| SCHEMBL6301984 | 0.73 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-0447947-A1 | N-(3-Phenyl-2-methylpropyl and -methyl-prop-2-enyl)-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | disclosed |