⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1631394 | 1.00 | — | — | |
| SCHEMBL7904677 | 1.00 | CA14 (0.41) | — | |
| SCHEMBL1631397 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3838599 | 0.98 | CA14 (0.40) | — | |
| Hydrochloric Acid SCHEMBL17389174 | 0.98 | CA14 (0.40) | — | |
| SCHEMBL15974641 | 0.92 | POLB (0.40) | — | |
| SCHEMBL21579732 | 0.92 | DPP4 (0.41) | — | |
| SCHEMBL28457899 | 0.92 | POLB (0.40) | — | |
| SCHEMBL8238357 | 0.92 | SLC6A3 (0.36) | — | |
| SCHEMBL13209988 | 0.92 | DPP4 (0.41) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117229295-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-12-15 | — | — | CN | disclosed |
| CN-110511213-B | Immunomodulator | 成都先导药物开发股份有限公司 | 2021-10-19 | — | — | CN | disclosed |
| US-20210087206-A1 | MACROCYCLIC KINASE INHIBITORS AND THEIR USE | TURNING POINT THERAPEUTICS INC (US) | 2021-03-25 | — | — | US | disclosed |
| US-20200392160-A1 | MACROCYCLIC COMPOUNDS FOR TREATING DISEASE | TP THERAPEUTICS, INC. | 2020-12-17 | — | — | US | disclosed |
| US-10745416-B2 | Macrocyclic compounds for treating disease | Turning Point Therapeutics, Inc. (US) | 2020-08-18 | — | — | US | disclosed |
| US-20200190110-A1 | MACROCYCLIC COMPOUNDS FOR TREATING DISEASE | Turning Point Therapeutics, Inc. (US) | 2020-06-18 | — | — | US | disclosed |
| CN-110511213-A | A kind of immunomodulator | CHENGDU HITGEN DEV CO LTD | 2019-11-29 | — | — | CN | disclosed |
| US-9827244-B2 | Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-28 | — | — | US | disclosed |
| US-20170000788-A1 | Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease | HOFFMANN LA ROCHE (CH) | 2017-01-05 | — | — | US | disclosed |
| US-9359351-B2 | Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-07 | — | — | US | disclosed |
| US-20160002227-A1 | CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE | HOFFMANN LA ROCHE (CH) | 2016-01-07 | — | — | US | disclosed |
| WO-2012007409-A1 | N-SUBSTITUTED PYRROLIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |
| US-20120010235-A1 | N-SUBSTITUTED PYRROLIDINES | CHU XIN-JIE (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010235-A1 | N-SUBSTITUTED PYRROLIDINES | CHU XIN-JIE (US) | 2012-01-12 | — | — | US | disclosed |
| US-20120010235-A1 | N-SUBSTITUTED PYRROLIDINES | CHU XIN-JIE (US) | 2012-01-12 | — | — | US | disclosed |