⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8383054 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL11437543 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL19257 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL19256 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL444245 | 0.77 | TSHR (0.50) | — | |
| Water SCHEMBL30250355 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL28883041 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL31071641 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL22690761 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL29860029 | 0.74 | TSHR (0.48) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017051294-A1 | N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL] AMIDES USEFUL AS BACE INHIBITORS | PFIZER INC. (US) | 2017-03-30 | — | — | WO | disclosed |
| WO-2017046675-A1 | NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS | PFIZER INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2016203347-A1 | TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | PFIZER INC. (US) | 2016-12-22 | — | — | WO | disclosed |
| CN-103930428-B | Pyrano [3,2-D ] [1,3] thiazoles as glycosidase inhibitors | MERCK PATENT GMBH (DE) | 2016-05-11 | — | — | CN | disclosed |
| CN-102066360-B | Quinoline-or isoquinoline-substituted P2X7 antagonists | JANSSEN PHARMACEUTICA NV | 2013-10-30 | — | — | CN | disclosed |
| CN-102066360-A | Quinoline-or isoquinoline-substituted P2X7 antagonists | JANSSEN PHARMACEUTICA NV | 2011-05-18 | — | — | CN | disclosed |
| CN-1033699-C | Insecticidal phenylhydrazine derivatives | UNIROYAL CHEM CO INC (US) | 1997-01-01 | — | — | CN | disclosed |
| CN-1075952-A | Parasiticidal phenylhydrazine derivatives | UNIROYAL CHEM CO INC (US) | 1993-09-08 | — | — | CN | disclosed |