⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28691119 | 0.98 | — | — | |
| SCHEMBL28440996 | 0.98 | — | — | |
| SCHEMBL28429657 | 0.94 | — | — | |
| SCHEMBL28783562 | 0.80 | APP (0.37) | — | |
| SCHEMBL31199148 | 0.78 | EPHX2 (0.38) | — | |
| SCHEMBL28306198 | 0.78 | EPHX2 (0.38) | — | |
| SCHEMBL315210 | 0.78 | — | — | |
| SCHEMBL334570 | 0.77 | — | — | |
| SCHEMBL1097437 | 0.77 | — | — | |
| SCHEMBL7114758 | 0.77 | CA2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107835823-A | Copolymers end-functionalized with functional silanes, compositions thereof, and related methods | 株式会社普利司通 | 2018-03-23 | — | — | CN | disclosed |
| CN-104995248-A | Rubber composition comprising metal carboxylate and method for preparing same | BRIDGESTONE CORP | 2015-10-21 | — | — | CN | disclosed |