⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27815466 | 0.83 | — | — | |
| SCHEMBL11704004 | 0.83 | — | — | |
| SCHEMBL11706496 | 0.82 | — | — | |
| SCHEMBL11702080 | 0.79 | NOS1 (0.32) | — | |
| SCHEMBL6889963 | 0.79 | — | — | |
| SCHEMBL11707679 | 0.79 | — | — | |
| SCHEMBL11704136 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL26724982 | 0.75 | — | — | |
| SCHEMBL25067553 | 0.75 | — | — | |
| SCHEMBL506367 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230054411-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2023-02-23 | — | — | US | disclosed |
| US-20220402950-A1 | SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-22 | — | — | US | disclosed |
| US-11046679-B2 | Indoleamine 2,3-dioxygenase inhibitor and application | NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) | 2021-06-29 | — | — | US | disclosed |
| US-20200181131-A1 | INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND APPLICATION | NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) | 2020-06-11 | — | — | US | disclosed |
| CN-106457125-B | Improved process for removal of acid gases by absorbent solutions containing amine compounds | 塔明克公司 | 2019-03-26 | — | — | CN | disclosed |
| US-8664411-B2 | Tetrahydropyranochromene gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20110236400-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION | 2011-09-29 | — | — | US | disclosed |
| US-20110236400-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION | 2011-09-29 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| US-4021490-A | EXTRACTIVE DISTILLATION; SULFOLANE | PHILLIPS PETROLEUM COMPANY (US) | 1977-05-03 | — | — | US | disclosed |