⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31121097 | 0.78 | — | — | |
| SCHEMBL910062 | 0.71 | — | — | |
| SCHEMBL11265756 | 0.67 | — | — | |
| SCHEMBL18812472 | 0.64 | — | — | |
| SCHEMBL10778907 | 0.61 | — | — | |
| SCHEMBL9673817 | 0.60 | — | — | |
| SCHEMBL5695506 | 0.59 | — | — | |
| SCHEMBL1660594 | 0.58 | — | — | |
| SCHEMBL22171379 | 0.58 | — | — | |
| SCHEMBL8749323 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170342013-A1 | ALPHA-HALOTETRAMETHYCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL)METHY CARBOXYLATE COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-11-30 | — | — | US | claimed |
| EP-3248959-A2 | ALPHA HALOTETRAMETHYLCYCLOHEXANONE, A METHOD FOR THE PREPARATION THEREOF, AND A METHOD FOR THE PREPARATION OF A (2,3,4,4-TETRAMETHYLCYCLOPENTYL) METHYL CARBOXYLATE COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2017-11-29 | — | — | EP | claimed |