⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8398416 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL8398071 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL18346658 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL8397498 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL8398652 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL14671465 | 0.77 | — | — | |
| SCHEMBL14882995 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL11756397 | 0.74 | — | — | |
| SCHEMBL15959252 | 0.71 | — | — | |
| SCHEMBL11314410 | 0.71 | TSHR (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9528042-B1 | Drilling fluid additive composition and super high temperature super high density clay-free oil-in-water drilling fluid | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2016-12-27 | — | — | US | disclosed |
| EP-0722960-B1 | Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles | AGOMER GES MIT BESCHRAENKTER H (DE) | 1999-06-02 | — | — | EP | disclosed |
| US-5880235-A | POLYMER PREPARED BY COPOLYMERIZING ALPHA-METHYLENE-GAMMA-BUTYROLACTONE AND VINYLICALLY UNSATURATED MONOMER | AGOMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-03-09 | — | — | US | disclosed |
| EP-0722960-A2 | Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles | Degussa Aktiengesellschaft (DE) | 1996-07-24 | — | — | EP | disclosed |