⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31337358 | 0.66 | CYP1A2 (0.36) | — | |
| SCHEMBL10985224 | 0.63 | ADORA2B (0.69) | — | |
| SCHEMBL8952638 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL8952508 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL8952586 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL8952620 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL13760648 | 0.61 | ALDH1A1 (0.38) | — | |
| SCHEMBL31337271 | 0.60 | CYP1A2 (0.36) | — | |
| SCHEMBL12060391 | 0.60 | HTT (0.38) | — | |
| SCHEMBL12713879 | 0.59 | SMN1; SMN2 (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-4515795-A | INSUFFICIENCY OF CEREBRAL BLOOD FLOW | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-05-07 | — | — | US | disclosed |