⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11595783 | 0.97 | — | — | |
| Fumaric Acid SCHEMBL4347189 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL156638 | 0.81 | — | — | |
| SCHEMBL8709491 | 0.81 | HMGCR (0.55) | — | |
| SCHEMBL28122018 | 0.79 | — | — | |
| SCHEMBL125115 | 0.78 | — | — | |
| SCHEMBL16280996 | 0.78 | KDM4E (0.42) | — | |
| SCHEMBL95243 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3026920 | 0.75 | — | — | |
| Bromide SCHEMBL8373854 | 0.75 | LMNA (0.35) | — |
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 239 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110278711-B | Tricyclosulfones as rory modulators | 百时美施贵宝公司 | 2023-12-15 | — | — | CN | claimed |
| EP-2964649-B1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | claimed |
| US-20160015712-A1 | Triazolo[4,5-d]pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2016-01-21 | — | — | US | claimed |
| EP-2964649-A1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | Merck Patent GmbH (DE) | 2016-01-13 | — | — | EP | claimed |
| WO-2014135244-A1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2014-09-12 | — | — | WO | claimed |
| US-8034811-B2 | Hydroxamic acid esters and pharmaceutical use thereof | LEO PHARMA A/S (DK) | 2011-10-11 | — | — | US | claimed |
| EP-1648874-B1 | PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC (CA) | 2011-10-05 | — | — | EP | claimed |
| EP-1846035-B1 | COMBINATION THERAPY | XENON PHARMACEUTICALS INC (CA) | 2011-09-21 | — | — | EP | claimed |
| EP-1697312-B1 | HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA AS (DK) | 2011-07-20 | — | — | EP | claimed |
| US-20100056460-A1 | COMBINATION OF ORGANIC COMPOUNDS | ALI MOHAMMED A | 2010-03-04 | — | — | US | claimed |
| US-20040072900-A1 | Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound | NPS PHARMACEUTICALS | 2004-04-15 | — | — | US | claimed |
| CN-1409630-A | Sustainable-release formulations for treating CNS-mediated disorders | NPS PHARMA INC (US) | 2003-04-09 | — | — | CN | claimed |
| JP-2002538106-A | — | — | 2002-11-12 | — | — | JP | claimed |
| EP-1225888-A2 | SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS | NPS PHARMACEUTICALS, INC. (US) | 2002-07-31 | — | — | EP | claimed |
| US-6383527-B1 | FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP | NPS PHARMACEUTICALS, INC. | 2002-05-07 | — | — | US | claimed |
| EP-1176953-A2 | TREATMENT OF A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND | NPS PHARMACEUTICALS, INC. (US) | 2002-02-06 | — | — | EP | claimed |
| WO-2001028516-A2 | SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS | NPS PHARMACEUTICALS, INC. (US) | 2001-04-26 | — | — | WO | claimed |
| EP-1059930-A1 | COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID | NPS PHARMACEUTICALS, INC. (US) | 2000-12-20 | — | — | EP | claimed |
| WO-2000051586-A2 | TREATING A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND | NPS PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | claimed |
| WO-1999044623-A1 | COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID | NPS PHARMACEUTICALS, INC. (US) | 1999-09-10 | — | — | WO | claimed |