⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13849167 | 0.85 | — | — | |
| SCHEMBL24722776 | 0.85 | — | — | |
| SCHEMBL3934461 | 0.80 | — | — | |
| SCHEMBL5839039 | 0.72 | — | — | |
| SCHEMBL23152232 | 0.72 | — | — | |
| SCHEMBL15922980 | 0.72 | — | — | |
| SCHEMBL14864995 | 0.71 | — | — | |
| SCHEMBL6632101 | 0.69 | — | — | |
| SCHEMBL6632920 | 0.69 | — | — | |
| SCHEMBL12059274 | 0.69 | CYP2D6 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2515648-A1 | METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS | Novomer, Inc. (US) | 2012-10-31 | — | — | EP | claimed |
| WO-2011079041-A1 | METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS | NOVOMER, INC. (US) | 2011-06-30 | — | — | WO | claimed |