⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910050 | 0.90 | CYP2C19 (0.81) | — | |
| Isopropylamine SCHEMBL3793495 | 0.86 | CYP2C19 (0.74) | — | |
| SCHEMBL6576548 | 0.86 | CYP2C19 (0.74) | — | |
| Isopropylamine SCHEMBL3793497 | 0.86 | CYP2C19 (0.74) | — | |
| SCHEMBL21359205 | 0.82 | CYP2D6 (0.70) | — | |
| SCHEMBL6576550 | 0.81 | CYP2C19 (0.65) | — | |
| SCHEMBL3115481 | 0.80 | — | — | |
| SCHEMBL1982391 | 0.80 | — | — | |
| SCHEMBL6729103 | 0.80 | — | — | |
| SCHEMBL593908 | 0.80 | — | — |
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 481 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3715346-B1 | THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | DANA FARBER CANCER INST INC (US) | 2024-01-03 | — | — | EP | claimed |
| EP-3606528-B1 | TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF | BROAD INST INC (US) | 2023-10-18 | — | — | EP | claimed |
| EP-3291676-B1 | MITRAGYNINE ANALOGS AND USES THEREOF | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2022-08-17 | — | — | EP | claimed |
| EP-3172213-B1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | DANA FARBER CANCER INST INC (US) | 2021-09-22 | — | — | EP | claimed |
| EP-3092220-B1 | VITAMIN C PRODRUGS AND USES THEREOF | UNIV FLORIDA (US) | 2021-01-20 | — | — | EP | claimed |
| EP-3171874-B1 | IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF | DANA FARBER CANCER INST INC (US) | 2020-11-18 | — | — | EP | claimed |
| EP-2903979-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES | INHIBIKASE THERAPEUTICS INC (US) | 2020-08-19 | — | — | EP | claimed |
| EP-2016044-B1 | PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS | HARVARD COLLEGE (US) | 2020-06-10 | — | — | EP | claimed |
| EP-3209648-B1 | THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | DANA FARBER CANCER INST INC (US) | 2020-03-11 | — | — | EP | claimed |
| EP-3140341-B1 | METHOD USING ZIRCONIUM CATALYST FOR PRODUCING CARBAMATE-FUNCTIONAL MATERIALS | BASF COATINGS GMBH (DE) | 2018-08-29 | — | — | EP | 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 |
| WO-2004000023-A1 | INSECT REPELLENTS | GIVAUDAN SA (CH) | 2003-12-31 | — | — | WO | 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 |