⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11784008 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL14256116 | 0.80 | EPHX1 (0.31) | — | |
| SCHEMBL1536315 | 0.80 | EPHX1 (0.31) | — | |
| SCHEMBL6274585 | 0.80 | EPHX1 (0.31) | — | |
| SCHEMBL10603581 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12936699 | 0.73 | CHRM2 (0.46) | — | |
| SCHEMBL6180229 | 0.72 | — | — | |
| SCHEMBL2654180 | 0.70 | ATM (0.46) | — | |
| SCHEMBL24759247 | 0.69 | HTT (0.41) | — | |
| SCHEMBL318712 | 0.69 | CHRM2 (0.39) | — |
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-3966747-A | NARCOTIC AGONIST ANDOR ANTAGONIST ACTIVITY | BRISTOL-MYERS COMPANY (US) | 1976-06-29 | — | — | US | disclosed |