⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL334738 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL18130360 | 0.67 | — | — | |
| SCHEMBL7074997 | 0.67 | — | — | |
| SCHEMBL332010 | 0.67 | — | — | |
| SCHEMBL6963893 | 0.65 | — | — | |
| SCHEMBL2486077 | 0.65 | CHRNB2 (0.44) | — | |
| SCHEMBL1630764 | 0.65 | CHRNB2 (0.44) | — | |
| SCHEMBL1630761 | 0.65 | CHRNB2 (0.44) | — | |
| SCHEMBL13108979 | 0.63 | — | — | |
| Nitrogen SCHEMBL29248631 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230286920-A1 | CYCLOOCTYNES FOR CLICK CHEMISTRY | MASSACHUSETTS INST TECHNOLOGY (US) | 2023-09-14 | — | — | US | disclosed |
| US-20230286920-A1 | CYCLOOCTYNES FOR CLICK CHEMISTRY | MASSACHUSETTS INST TECHNOLOGY (US) | 2023-09-14 | — | — | US | disclosed |
| US-11673865-B2 | Cyclooctynes for click chemistry | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2023-06-13 | — | — | US | disclosed |
| US-11673865-B2 | Cyclooctynes for click chemistry | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2023-06-13 | — | — | US | disclosed |
| US-20220402876-A1 | CYCLOOCTYNES FOR CLICK CHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2022-12-22 | — | — | US | disclosed |
| WO-2022250679-A1 | CYCLOOCTYNES FOR CLICK CHEMISTRY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2022-12-01 | — | — | WO | disclosed |
| US-11377424-B1 | Cyclooctynes for click chemistry | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2022-07-05 | — | — | US | disclosed |
| US-10676449-B2 | Electronically activated strained alkynes | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2020-06-09 | — | — | US | disclosed |
| US-20190233385-A1 | ELECTRONICALLY ACTIVATED STRAINED ALKYNES | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2019-08-01 | — | — | US | disclosed |
| EP-1038866-B1 | Process for producing aziridine compound | DAICEL CHEM (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-6323346-B1 | REACTING A DIAZOACETIC ACID DERIVATIVE OF THE FORMULA N.SUB.2 CHR.SUP.4 WITH A CARBONYL COMPOUND OF FORMULA R.SUP.1 R.SUP.2 C.DBD.O AND AN AMINO-GROUP-CONTAINING COMPOUND OF FORMULA R.SUP.3 NH.SUB.2 IN THE PRESENCE OF AN IRIDIUM COMPLEX | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-11-27 | — | — | US | disclosed |
| EP-1038866-A1 | Process for producing aziridine compound | Daicel Chemical Industries, Ltd. (JP) | 2000-09-27 | — | — | EP | disclosed |