⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL230243 | 0.97 | — | — | |
| SCHEMBL11549107 | 0.82 | KMT2A (0.73) | — | |
| SCHEMBL11549110 | 0.82 | KMT2A (0.73) | — | |
| SCHEMBL16671144 | 0.82 | KMT2A (0.73) | — | |
| SCHEMBL16671324 | 0.82 | KMT2A (0.73) | — | |
| SCHEMBL16671142 | 0.82 | KMT2A (0.73) | — | |
| SCHEMBL10543714 | 0.80 | KMT2A (0.39) | — | |
| SCHEMBL4574808 | 0.79 | — | — | |
| SCHEMBL10542200 | 0.77 | — | — | |
| SCHEMBL1276454 | 0.75 | KMT2A (0.65) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717019-B | Continuous flow reaction method for asymmetric allyl alkylation reaction | 哈尔滨工业大学（深圳） | 2024-12-31 | — | — | CN | claimed |
| CN-113717019-A | Continuous flow reaction method for asymmetric allyl alkylation reaction | 哈尔滨工业大学（深圳） | 2021-11-30 | — | — | CN | claimed |
| CN-113717019-B | Continuous flow reaction method for asymmetric allyl alkylation reaction | 哈尔滨工业大学（深圳） | 2024-12-31 | — | — | CN | disclosed |
| CN-113717019-A | Continuous flow reaction method for asymmetric allyl alkylation reaction | 哈尔滨工业大学（深圳） | 2021-11-30 | — | — | CN | disclosed |
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0295056-A1 | Anti-inflammatory furanones | ALLERGAN, INC (US) | 1988-12-14 | — | — | EP | disclosed |