SCHEMBL329576

SCHEMBL329576

[C]#CC(C)(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
SCHEMBL24697 0.70
SCHEMBL5153784 0.68
SCHEMBL190199 0.67 ALDH1A1 (0.33)
SCHEMBL430887 0.64
Dimethylketone Cyanohydrin SCHEMBL34145 0.64
SCHEMBL18335079 0.64
SCHEMBL188748 0.64
SCHEMBL8629 0.64
SCHEMBL6974201 0.64
SCHEMBL11398317 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174696-A1 2,8-DIAZASPIRO[4.5]DECANE COMPOUNDS GENENTECH, INC. (US) 2024-05-30 US claimed
EP-4347594-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS Genentech, Inc. (US) 2024-04-10 EP claimed
CN-117425654-A 2, 8-diazaspiro [4.5] decane compounds 基因泰克公司 2024-01-19 CN claimed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO claimed
WO-2022253341-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS GENENTECH, INC. (US) 2022-12-08 WO claimed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 US claimed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN claimed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US claimed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO claimed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO claimed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP claimed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP claimed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
EP-0800517-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1997-10-15 EP claimed
US-5041459-A Plant diseases; protection of industrial materials BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US claimed