⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27626339 | 0.88 | ALOX15 (0.37) | — | |
| SCHEMBL28323668 | 0.79 | ADRA2A (0.32) | — | |
| SCHEMBL6155343 | 0.78 | — | — | |
| SCHEMBL10529537 | 0.77 | — | — | |
| SCHEMBL17395698 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27509464 | 0.76 | NOS3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11080400 | 0.76 | — | — | |
| SCHEMBL10125582 | 0.74 | — | — | |
| SCHEMBL10646214 | 0.74 | ADRA2A (0.39) | — | |
| SCHEMBL10863262 | 0.74 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105916556-A | Semi-permanent hair straightening composition and method | 路博润先进材料公司 | 2016-08-31 | — | — | CN | claimed |
| CN-1352554-A | IL-8 receptor antagaonists | SMITHKLINE BEECHAM CORP (US) | 2002-06-05 | — | — | CN | claimed |
| EP-4201942-A1 | BORACIC ACID COMPOUND | Phaeno Therapeutics Co., Ltd. (CN) | 2023-06-28 | — | — | EP | disclosed |
| CN-110267641-A | Oral care compositions containing at least one biosurfactant and fluoride | 赢创德固赛有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-108366561-A | Biocidal activity polymer composition | 路博润先进材料公司 | 2018-08-03 | — | — | CN | disclosed |
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | disclosed |
| US-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | CAO JINGRONG | 2007-11-15 | — | — | US | disclosed |
| US-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | CAO JINGRONG | 2007-11-15 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| CN-1352554-A | IL-8 receptor antagaonists | SMITHKLINE BEECHAM CORP (US) | 2002-06-05 | — | — | CN | disclosed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| EP-0121082-A1 | Guanidin derivatives | BAYER AG (DE) | 1984-10-10 | — | — | EP | disclosed |