SCHEMBL489803

SCHEMBL489803

CC(C)C[C@@H](Br)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
SCHEMBL2637647 1.00
SCHEMBL489804 1.00
Hydrochloric Acid SCHEMBL18580855 0.97 RNPEP (0.48)
SCHEMBL9869901 0.83
SCHEMBL28638484 0.82 ALDH1A1 (0.61)
SCHEMBL8308905 0.82 ALDH1A1 (0.61)
SCHEMBL27949976 0.81 ALDH1A1 (0.48)
SCHEMBL310533 0.81
SCHEMBL4955010 0.79 ALDH1A1 (0.46)
SCHEMBL27533786 0.79

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
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
WO-2025026955-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2025-02-06 WO disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
CN-116462635-A Pyrazine-1 (2H) -2-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
CN-116425682-A Pyrimidine-1 (2H) -oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-07-14 CN disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
CN-112312910-A Human integrin alpha 4 beta 7 antagonists 莫菲克医疗股份有限公司 2021-02-02 CN disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed
EP-0712838-A1 ACYLPHENYLGLYCINE DERIVATIVE AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY INCREASED COLLAGENASE ACTIVITY CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD. (JP) 1996-05-22 EP disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
CN-1099392-A Compounds containing a fused bicyclic ring and processes therefor BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed