⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23086688 | 0.95 | DPP4 (0.36) | — | |
| SCHEMBL6201919 | 0.93 | ALDH1A1 (0.36) | — | |
| SCHEMBL15354776 | 0.90 | — | — | |
| SCHEMBL17071833 | 0.80 | SLC6A2 (0.30) | — | |
| SCHEMBL12199945 | 0.80 | AOC2 (0.33) | — | |
| SCHEMBL21558067 | 0.77 | DPP4 (0.34) | — | |
| SCHEMBL24615835 | 0.77 | USP2 (0.37) | — | |
| SCHEMBL19604763 | 0.76 | — | — | |
| SCHEMBL23887960 | 0.76 | — | — | |
| SCHEMBL31147254 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022148422-A1 | BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2022-07-14 | — | — | WO | disclosed |
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |
| US-20200345700-A1 | LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2020-11-05 | — | — | US | disclosed |
| EP-3455216-B1 | PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2020-11-04 | — | — | EP | disclosed |
| US-20200255451-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC (US) | 2020-08-13 | — | — | US | disclosed |
| EP-3668504-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019035914-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |
| US-9926292-B2 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-27 | — | — | US | disclosed |
| US-9926292-B2 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-27 | — | — | US | disclosed |
| US-20170327483-A1 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-16 | — | — | US | disclosed |
| US-20170327483-A1 | Pyridinyl derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-16 | — | — | US | disclosed |