SCHEMBL272745

SCHEMBL272745

O=CCc1ccncc1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL9249645 0.97 CYP3A4 (0.50)
SCHEMBL31236792 0.85 MAPT (0.50)
SCHEMBL6870747 0.85 MAPT (0.50)
Phenylacetaldehyde SCHEMBL27881691 0.80 MAOB (0.48)
SCHEMBL2636311 0.80 KDM4E (0.53)
SCHEMBL5495225 0.80 CYP3A4 (0.55)
SCHEMBL9245177 0.79 NAMPT (0.45)
SCHEMBL6364651 0.78 MAOB (0.40)
SCHEMBL6609419 0.78
SCHEMBL347894 0.77 LOXL2 (0.50)

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO claimed
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
CN-102741269-A Gadd45beta targeting agents IMP INNOVATIONS LTD 2012-10-17 CN claimed
JP-61069760-A None JP disclosed
WO-2025233901-A1 ACTIVATORS OF PYRUVATE KINASE ISOFORM M2 AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-13 WO disclosed
EP-4569560-A1 AMPHIPHILIC COMPLEXING AGENTS FOR IMPROVED MEMBRANE COMPATIBILITY AND STABILITY OF REDOX SPECIES Wisconsin Alumni Research Foundation (US) 2025-06-18 EP disclosed
WO-2024229221-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-11-07 WO disclosed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP disclosed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN disclosed
EP-0361300-A1 Use of 2,7 diamino-1,2,3,4-tetrahydronaphthalenes as drugs, 2,7 diamino-1,2,3,4-tetrahydronaphthalenes as well as processes for their preparation BOEHRINGER INGELHEIM KG (DE) 1990-04-04 EP disclosed
US-4681944-A Process for preparing certain 1-lower alkanoyl or benzoyl-4-(lower alkanoyl or benzoyl-methylidene)-1,4-dihydropyridines or acid addition salts thereof BRITISH NUCLEAR GROUP SELLAFIELD LIMITED (GB) 1987-07-21 US disclosed
US-4681944-A Process for preparing certain 1-lower alkanoyl or benzoyl-4-(lower alkanoyl or benzoyl-methylidene)-1,4-dihydropyridines or acid addition salts thereof BRITISH NUCLEAR GROUP SELLAFIELD LIMITED (GB) 1987-07-21 US disclosed
JP-S6169760-A (4-PYRIDYL)ALKANEDIONE COMPOUND AND ITS PREPARATION KOEI CHEM CO LTD 1986-04-10 JP disclosed
EP-0029665-B1 ANTIBACTERIAL DERIVATIVES OF MONIC ACID, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-02-01 EP disclosed
US-4312874-A PYRAN KETONES BEECHAM GROUP LIMITED (GB) 1982-01-26 US disclosed
EP-0029665-A1 Antibacterial derivatives of monic acid, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1981-06-03 EP disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed