⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10796141 | 0.73 | — | — | |
| SCHEMBL19736771 | 0.71 | — | — | |
| SCHEMBL25142370 | 0.69 | — | — | |
| SCHEMBL24914732 | 0.65 | — | — | |
| SCHEMBL20393951 | 0.63 | — | — | |
| SCHEMBL20925205 | 0.63 | — | — | |
| SCHEMBL28887714 | 0.60 | — | — | |
| Isobutane SCHEMBL9578989 | 0.58 | ALDH1A1 (0.36) | — | |
| Isobutane SCHEMBL2052169 | 0.58 | — | — | |
| SCHEMBL24397623 | 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 |
|---|---|---|---|---|---|---|---|
| US-20180127375-A1 | MORPHINAN DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN | NEKTAR THERAPEUTICS | 2018-05-10 | — | — | US | disclosed |