⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21737513 | 0.77 | — | — | |
| SCHEMBL24993303 | 0.72 | — | — | |
| SCHEMBL7885711 | 0.72 | — | — | |
| SCHEMBL7194664 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL115473 | 0.69 | — | — | |
| SCHEMBL21720448 | 0.69 | — | — | |
| SCHEMBL21721334 | 0.69 | PDPK1 (0.31) | — | |
| SCHEMBL14540348 | 0.65 | — | — | |
| SCHEMBL4567574 | 0.65 | — | — | |
| SCHEMBL7863085 | 0.65 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289823-A1 | SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES | Medshine Discovery Inc. (CN) | 2023-12-13 | — | — | EP | disclosed |
| US-20230365544-A1 | SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH | 2023-11-16 | — | — | US | disclosed |
| WO-2019059161-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2019-03-28 | — | — | WO | disclosed |
| US-9708528-B2 | Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof | THE UNIVERSITY OF HONG KONG (HK) | 2017-07-18 | — | — | US | disclosed |
| US-9708528-B2 | Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof | THE UNIVERSITY OF HONG KONG (HK) | 2017-07-18 | — | — | US | disclosed |
| WO-2015188790-A1 | ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND PRODUCTION THEREOF | THE UNIVERSITY OF HONG KONG (CN) | 2015-12-17 | — | — | WO | disclosed |
| US-20150361332-A1 | ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF | THE UNIVERSITY OF HONG KONG (HK) | 2015-12-17 | — | — | US | disclosed |
| US-20150361332-A1 | ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF | THE UNIVERSITY OF HONG KONG (HK) | 2015-12-17 | — | — | US | disclosed |
| EP-2184994-B1 | HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP (US) | 2013-09-25 | — | — | EP | disclosed |
| US-20130236481-A1 | HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2013-09-12 | — | — | US | disclosed |
| EP-0515458-B1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | NYCOMED INNOVATION AB (SE) | 1995-08-23 | — | — | EP | disclosed |
| EP-0515458-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. | HAFSLUND NYCOMED INNOVATION (SE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012024-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | HAFSLUND NYCOMED INNOVATION AB (SE) | 1991-08-22 | — | — | WO | disclosed |
| EP-0002846-B1 | 3-THIENYLMALONIC ACIDS, THE CORRESPONDING DIESTERS AND THEIR PREPARATION | Océ-Andeno B.V. (NL) | 1984-05-23 | — | — | EP | disclosed |
| EP-0002304-B1 | METHOD OF PREPARING A 3-IODOTHIOPHENE | Océ-Andeno B.V. (NL) | 1982-09-29 | — | — | EP | disclosed |
| US-4262129-A | Preparation of a 3-thienylmalonic acid and the corresponding diesters | OCE-ANDENO B.V. (NL) | 1981-04-14 | — | — | US | disclosed |
| US-4169839-A | REACTING 3-BROMOTHIOPHENE COMPOUND WITH COPPER IODIDE IN APROTIC SOLVENT | OCE-ANDENO B.V. (NL) | 1979-10-02 | — | — | US | disclosed |
| EP-0002846-A1 | 3-Thienylmalonic acids, the corresponding diesters and their preparation | Océ-Andeno B.V. (NL) | 1979-07-11 | — | — | EP | disclosed |
| EP-0002304-A1 | Method of preparing a 3-iodothiophene | Océ-Andeno B.V. (NL) | 1979-06-13 | — | — | EP | disclosed |
| US-4152452-A | N-BENZYLANILINE AND DERIVATIVES | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |