⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8670446 | 0.86 | CYP3A4 (0.31) | — | |
| SCHEMBL8672023 | 0.86 | LMNA (0.33) | — | |
| SCHEMBL8673187 | 0.85 | PREP (0.34) | — | |
| SCHEMBL8670579 | 0.84 | CTSS (0.37) | — | |
| SCHEMBL8674681 | 0.81 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL8672019 | 0.80 | RORC (0.31) | — | |
| SCHEMBL8669501 | 0.79 | — | — | |
| SCHEMBL8671810 | 0.79 | RORC (0.32) | — | |
| SCHEMBL8671813 | 0.78 | — | — | |
| SCHEMBL8520362 | 0.76 | ACE (0.33) | — |
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-5707991-A | TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE | RHONE-POULENC RORER S.A. (FR) | 1998-01-13 | — | — | US | disclosed |