⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2425189 | 1.00 | — | — | |
| SCHEMBL178341 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3975828 | 0.98 | GNAI3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2425478 | 0.98 | GNAI3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL27095266 | 0.98 | GNAI3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL25417087 | 0.98 | GNAI3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2427708 | 0.98 | GNAI3 (0.37) | — | |
| SCHEMBL4703206 | 0.93 | CHRM5 (0.37) | — | |
| SCHEMBL7804683 | 0.93 | CHRM5 (0.37) | — | |
| SCHEMBL7810418 | 0.93 | CHRM5 (0.37) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576537-B1 | 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK | HOFFMANN LA ROCHE (CH) | 2016-03-16 | — | — | EP | claimed |
| US-8642601-B2 | Inhibitors of JNK | ROCHE PALO ALTO LLC (US) | 2014-02-04 | — | — | US | claimed |
| US-20110301171-A1 | Inhibitors of JNK | ARZENO HUMBERTO BARTOLOME (US) | 2011-12-08 | — | — | US | claimed |
| US-20220402950-A1 | SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2022-12-22 | — | — | US | disclosed |
| US-11198681-B2 | Heteroaryl inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2021-12-14 | — | — | US | disclosed |
| US-11078201-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists | Nimbus Saturn, Inc. (US) | 2021-08-03 | — | — | US | disclosed |
| US-20210188810-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2021-06-24 | — | — | US | disclosed |
| US-10227333-B2 | Inhibition of OLIG2 activity | Curtana Pharmaceuticals, Inc. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20190048016-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2019-02-14 | — | — | US | disclosed |
| US-20170166592-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |
| US-20160237069-A1 | INHIBITION OF OLIG2 ACTIVITY | Curtana Pharmaceuticals, Inc. | 2016-08-18 | — | — | US | disclosed |
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | disclosed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |
| US-20020049243-A1 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-04-25 | — | — | US | disclosed |