SCHEMBL21767448

SCHEMBL21767448

COc1cc(CCCCOC2CCN(C(C(=O)OC(C)(C)C)c3cc(F)ccc3C3CCCCO3)C2)nc2c1CCC(C)N2

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
SCHEMBL21767443 1.00
SCHEMBL21767642 0.92
SCHEMBL21786356 0.92
SCHEMBL21767638 0.92
SCHEMBL21786354 0.92
SCHEMBL21786360 0.92
SCHEMBL21767798 0.90 ITGAV (0.36)
SCHEMBL21780644 0.90 ITGAV (0.36)
SCHEMBL21767799 0.90 ITGAV (0.36)
SCHEMBL31582896 0.88

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
EP-4086254-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2022-11-09 EP disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed