⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18419251 | 1.00 | TSHR (0.32) | — | |
| SCHEMBL9843480 | 0.97 | CES2 (0.30) | — | |
| SCHEMBL15003813 | 0.97 | CES2 (0.30) | — | |
| SCHEMBL12707568 | 0.97 | TDP1 (0.30) | — | |
| SCHEMBL12707481 | 0.97 | TDP1 (0.30) | — | |
| SCHEMBL7081832 | 0.97 | TDP1 (0.30) | — | |
| SCHEMBL5326361 | 0.93 | — | — | |
| SCHEMBL16448668 | 0.93 | — | — | |
| SCHEMBL10981383 | 0.88 | UGT2B7 (0.31) | — | |
| SCHEMBL13980744 | 0.81 | ALDH1A1 (0.33) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200339570-A1 | BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2020-10-29 | — | — | US | disclosed |
| EP-2900669-B1 | HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |
| US-20170050960-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-02-23 | — | — | US | disclosed |
| US-7176229-B2 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION (US) | 2007-02-13 | — | — | US | disclosed |
| EP-1242400-B1 | PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS | ICOS CORP (US) | 2006-05-03 | — | — | EP | disclosed |
| US-20060074123-A1 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION (US) | 2006-04-06 | — | — | US | disclosed |
| US-6998416-B2 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION (US) | 2006-02-14 | — | — | US | disclosed |
| US-20040152754-A1 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION (A WASHINGTON CORPORATION) | 2004-08-05 | — | — | US | disclosed |
| US-6716871-B2 | OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES | ICOS CORPORATION | 2004-04-06 | — | — | US | disclosed |
| US-20040023945-A1 | CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS | ICOS CORPORATION | 2004-02-05 | — | — | US | disclosed |
| US-6423710-B1 | Cyclic AMP-specific phosphodiesterase inhibitors | ICOS CORPORATION | 2002-07-23 | — | — | US | disclosed |
| WO-1993004070-A1 | SUBSTITUTED ACRYLAMIDO-PENICILLANIC ACID DERIVATIVES | SMITHKLINE BEECHAM, PLC (GB) | 1993-03-04 | — | — | WO | disclosed |
| EP-0421752-A2 | Substituted acrylamido-penicillanic acid derivatives | Beecham Group p.l.c. (GB) | 1991-04-10 | — | — | EP | disclosed |