⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1107779 | 0.88 | — | — | |
| SCHEMBL27742762 | 0.85 | — | — | |
| SCHEMBL27705139 | 0.85 | — | — | |
| SCHEMBL27326215 | 0.85 | — | — | |
| SCHEMBL20030014 | 0.72 | — | — | |
| SCHEMBL28262898 | 0.72 | — | — | |
| SCHEMBL26847538 | 0.72 | — | — | |
| SCHEMBL27749989 | 0.72 | — | — | |
| SCHEMBL12542872 | 0.71 | — | — | |
| Heptane SCHEMBL28128722 | 0.71 | TSHR (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001491-B | Modified conjugated diene polymer and the polymer composition containing the polymer | 住友化学株式会社 | 2018-07-06 | — | — | CN | disclosed |
| CN-107001491-A | Modified conjugated diene polymer and the polymer composition containing the polymer | 住友化学株式会社 | 2017-08-01 | — | — | CN | disclosed |
| EP-0724570-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011231-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G. D. SEARLE & CO. (US) | 1995-04-27 | — | — | WO | disclosed |