⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1149758 | 0.74 | — | — | |
| SCHEMBL7846542 | 0.73 | — | — | |
| Acetic Acid SCHEMBL180921 | 0.73 | GABRR1 (0.57) | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL10421299 | 0.71 | GABRR1 (1.00) | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL2940090 | 0.71 | — | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL38621 | 0.71 | — | — | |
| SCHEMBL7711730 | 0.71 | — | — | |
| Gamma-Amino-Beta-Hydroxybutyric Acid SCHEMBL1555143 | 0.71 | — | — | |
| SCHEMBL12215031 | 0.71 | — | — | |
| SCHEMBL13218496 | 0.70 | GABRR1 (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6455661-B1 | USEFUL IN PRODUCTION OF PAPER BLENDS CONTAINING PORTION OF MECHANICAL PULP AS RETENTION AID AND STRENGTH ADDITIVE | PULP AND PAPER RESEARCH INSTITUTE OF CANADA (CA) | 2002-09-24 | — | — | US | disclosed |
| US-20020026992-A1 | Papermaking additives and mechanical pulp with primary amino groups | FPINNOVATIONS (CA) | 2002-03-07 | — | — | US | disclosed |
| WO-2000040618-A1 | PAPERMAKING ADDITIVE WITH PRIMARY AMINO GROUPS AND MECHANICAL PULP TREATED THEREWITH | PULP AND PAPER RESEARCH INSTITUTE OF CANADA (CA) | 2000-07-13 | — | — | WO | disclosed |