⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285178 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL29466093 | 0.80 | GABRA1 (0.39) | — | |
| SCHEMBL284553 | 0.80 | GABRA1 (0.39) | — | |
| SCHEMBL449004 | 0.80 | GPR84 (0.32) | — | |
| SCHEMBL9186966 | 0.80 | — | — | |
| SCHEMBL29696957 | 0.80 | GPR84 (0.32) | — | |
| SCHEMBL9637484 | 0.79 | GABRA1 (0.38) | — | |
| SCHEMBL30829735 | 0.78 | PARP1 (0.36) | — | |
| SCHEMBL656754 | 0.78 | PARP1 (0.36) | — | |
| SCHEMBL15067236 | 0.77 | HTR2A (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |
| US-5521318-A | INTERMEDIATE FOR YELLOW PHOTOGRAPHIC COUPLER | FUJI PHOTO FILM CO., LTD. (JP) | 1996-05-28 | — | — | US | disclosed |
| US-4576753-A | MICROBIOCIDES, ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-18 | — | — | US | disclosed |
| US-4472309-A | ANTIMICROBIAL | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-09-18 | — | — | US | disclosed |
| US-4304718-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-08 | — | — | US | disclosed |
| US-4264498-A | REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-04-28 | — | — | US | disclosed |
| US-4181800-A | ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-01-01 | — | — | US | disclosed |