⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL27533580 | 0.96 | — | — | |
| Pyridine SCHEMBL27435849 | 0.95 | — | — | |
| Pyridine SCHEMBL1361154 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL730865 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL2236054 | 0.95 | — | — | |
| Benzene SCHEMBL27363644 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL2845994 | 0.95 | — | — | |
| Pyridine SCHEMBL8709944 | 0.91 | TSHR (0.82) | — | |
| Pyridine SCHEMBL10894137 | 0.91 | TSHR (0.82) | — | |
| Pyridine SCHEMBL27917781 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104093425-A | Use of N-hydroxysuccinimide for improving the stability of conjugates | IMMUNOGEN INC | 2014-10-08 | — | — | CN | disclosed |