⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8079423 | 0.74 | — | — | |
| SCHEMBL7553490 | 0.70 | — | — | |
| SCHEMBL28905975 | 0.65 | — | — | |
| SCHEMBL9550900 | 0.65 | — | — | |
| SCHEMBL28166935 | 0.58 | — | — | |
| SCHEMBL10874892 | 0.56 | — | — | |
| SCHEMBL17131854 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL4902952 | 0.55 | — | — | |
| SCHEMBL7108389 | 0.55 | — | — | |
| SCHEMBL8674401 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117522-B | Hole mobile material | E.I.内穆尔杜邦公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-106117522-A | Hole mobile material | E.I.内穆尔杜邦公司 | 2016-11-16 | — | — | CN | disclosed |
| WO-2016172120-A1 | PREPARATION OF MIXTURES OF BROMINATED BENZENES PREDOMINANT IN DIBROMOBENZENES AND TRIBROMOBENZENES | ALBEMARLE CORPORATION (US) | 2016-10-27 | — | — | WO | disclosed |