SCHEMBL128632

SCHEMBL128632

[CH2]C(C)(C)C(=O)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
SCHEMBL4648822 0.83
SCHEMBL2467558 0.80
SCHEMBL567658 0.80
SCHEMBL7663313 0.77
SCHEMBL910401 0.77
SCHEMBL2438022 0.77
SCHEMBL127968 0.75
Pivalate SCHEMBL28069023 0.75 ALDH1A1 (0.53)
Pivalate SCHEMBL27519097 0.75
Pivalate SCHEMBL332912 0.73 TSHR (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112752756-B Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-06-25 CN claimed
US-20240002736-A1 RANDOM ACRYLIC TERPOLYMERS OF CONTROLLED MOLECULAR MASS USEFUL AS WATER IN CRUDE OIL EMULSIONS DESTABILIZERS INSTITUTO MEXICANO DEL PETRÓLEO (MX) 2024-01-04 US claimed
EP-4219492-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-08-02 EP claimed
EP-3790877-B1 TETRAHYDRO-IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS PD-L1 IMMUNOMODULATORS INCYTE CORP (US) 2023-03-01 EP claimed
US-20220348594-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-11-03 US claimed
CN-112752756-A Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2021-05-04 CN claimed
US-20210115068-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-04-22 US claimed
EP-3790877-A1 TETRAHYDRO-IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS PD-L1 IMMUNOMODULATORS Incyte Corporation (US) 2021-03-17 EP claimed
US-10906920-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2021-02-02 US claimed
US-20200277309-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2020-09-03 US claimed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US claimed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
CN-1097051-C N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 2002-12-25 CN claimed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
EP-0000930-B1 N-CARBOXYALKANE-AMINOALKANE-DIPHOSPHONIC ACIDS, N-CARBOXYALKANE-AZACYCLOALKANE-DIPHOSPHONIC ACIDS AND N-CARBOXYALKANE-AMINOARYLKANE DIPHOSPHONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SEQUESTERING AGENTS Benckiser-Knapsack GmbH (DE) 1981-07-01 EP claimed