SCHEMBL445769

SCHEMBL445769

[CH2]C#CC(C)O

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
SCHEMBL66883 0.76
SCHEMBL5155748 0.73
SCHEMBL23102 0.69
SCHEMBL11823906 0.69 ALDH1A1 (0.39)
SCHEMBL31688079 0.69
SCHEMBL29029262 0.69
SCHEMBL12590720 0.67
SCHEMBL751928 0.67
SCHEMBL148913 0.67
SCHEMBL614606 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964871-B2 Immobilized product and method for producing same STELLA CHEMIFA CORPORATION (JP) 2024-04-23 US disclosed
US-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 US disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
CN-107207507-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2020-11-06 CN disclosed
US-20190112193-A1 IMMOBILIZED PRODUCT AND METHOD FOR PRODUCING SAME STELLA CHEMIFA CORPORATION (JP) 2019-04-18 US disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed