⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28304958 | 0.96 | — | — | |
| SCHEMBL3070689 | 0.79 | — | — | |
| SCHEMBL3036776 | 0.74 | — | — | |
| SCHEMBL28240395 | 0.72 | — | — | |
| SCHEMBL27903773 | 0.69 | CA1 (0.36) | — | |
| SCHEMBL27587681 | 0.67 | — | — | |
| SCHEMBL3062947 | 0.67 | — | — | |
| SCHEMBL9054705 | 0.67 | — | — | |
| SCHEMBL3083029 | 0.65 | — | — | |
| SCHEMBL8949845 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018177989-A1 | NEW DITHIOSPIROKETAL COMPOUNDS AND USE THEREOF | ECOLE POLYTECHNIQUE (FR) | 2018-10-04 | — | — | WO | disclosed |
| CN-104822653-B | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | 奥赖恩公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-104822653-A | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | ORION CORP | 2015-08-05 | — | — | CN | disclosed |
| CN-103848766-A | Atom economical synthesis method for preparing thiol compounds | WANG JIANHUA | 2014-06-11 | — | — | CN | disclosed |