⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175524 | 1.00 | — | — | |
| SCHEMBL335471 | 1.00 | — | — | |
| Water SCHEMBL359935 | 0.97 | — | — | |
| SCHEMBL2872830 | 0.97 | ALDH1A1 (0.46) | — | |
| Propylene Oxide SCHEMBL530546 | 0.89 | ALDH1A1 (0.41) | — | |
| Ethylene Glycol SCHEMBL17709423 | 0.89 | ALDH1A1 (0.41) | — | |
| Acrolein SCHEMBL9275353 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL8640451 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL10321391 | 0.85 | ALDH1A1 (0.39) | — | |
| Phosphoric Acid SCHEMBL11493356 | 0.85 | ALDH1A1 (0.43) | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11976083-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-20170204075-A1 | AMINOALCOHOL LIPIDOIDS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-07-20 | — | — | US | disclosed |
| US-20170204075-A1 | AMINOALCOHOL LIPIDOIDS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-07-20 | — | — | US | disclosed |
| US-9556110-B2 | Aminoalcohol lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556110-B2 | Aminoalcohol lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-01-31 | — | — | US | disclosed |
| US-5652366-A | ADENOSINE AGONISTS; HYPOTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC, AND ANTILIPOLYTIC AGENTS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1997-07-29 | — | — | US | disclosed |
| WO-1997024327-A1 | PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1997-07-10 | — | — | WO | disclosed |
| EP-0758897-A1 | COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1997-02-26 | — | — | EP | disclosed |
| EP-0550631-B1 | COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES | RHONE POULENC RORER INT (US) | 1997-01-02 | — | — | EP | disclosed |
| US-5561134-A | ADENOSINE DERIVATIVES | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-10-01 | — | — | US | disclosed |
| WO-1995028160-A1 | COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1995-10-26 | — | — | WO | disclosed |
| US-5364862-A | Adenosine derivatives | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0550631-A4 | COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES | RHONE POULENC RORER INT (US) | 1994-08-10 | — | — | EP | disclosed |
| EP-0550631-A1 | COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES. | RHONE POULENC RORER INT (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005177-A1 | COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-04-02 | — | — | WO | disclosed |