⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1903711 | 0.76 | TDP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3866987 | 0.74 | TDP1 (0.31) | — | |
| SCHEMBL133347 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL9730261 | 0.71 | — | — | |
| SCHEMBL7783304 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2791016 | 0.71 | THRA (0.32) | — | |
| SCHEMBL7156849 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL3279957 | 0.69 | CA12 (0.36) | — | |
| SCHEMBL28377247 | 0.68 | TSHR (0.39) | — | |
| Dodecane SCHEMBL28107387 | 0.67 | TSHR (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104672473-A | Process for producing re-moisturised surface-crosslinked superabsorbents | BASF SE | 2015-06-03 | — | — | CN | disclosed |
| CN-101631819-B | Process for the preparation of remoistened, surface-crosslinked superabsorbents | BASF SE | 2015-03-11 | — | — | CN | disclosed |
| CN-101631819-A | Process for the preparation of remoistened, surface-crosslinked superabsorbents | BASF SE | 2010-01-20 | — | — | CN | disclosed |
| US-20050215756-A1 | Basic polymer obtained by hydrogenation | STOCKHAUSEN GMBH (DE) | 2005-09-29 | — | — | US | disclosed |
| CN-1492902-A | Novel polymer binder system with ionic liquids | ����ά˹���������¹ɷ�����˾ | 2004-04-28 | — | — | CN | disclosed |
| CN-1484719-A | Reactively modified particulate polymers for treating the surface of textile and non-textile materials | �����ɷ� | 2004-03-24 | — | — | CN | disclosed |