SCHEMBL3880071

SCHEMBL3880071

SCSc1ccccc1

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
Cyclopropane SCHEMBL28853398 0.92 ALDH1A1 (0.52)
SCHEMBL890748 0.84 ALDH1A1 (0.38)
SCHEMBL891258 0.80 ALDH1A1 (0.38)
SCHEMBL2467169 0.78 ALDH1A1 (0.70)
SCHEMBL776647 0.75 ALDH1A1 (1.00)
SCHEMBL777671 0.75 ALDH1A1 (0.67)
SCHEMBL15300614 0.74 ALDH1A1 (0.39)
SCHEMBL1493154 0.74 ALDH1A1 (0.64)
SCHEMBL890636 0.73 MEN1 (0.37)
SCHEMBL12110783 0.73 ALDH1A1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521482-B Preparation method for synthesizing nesiritide by solid-liquid combination 深圳翰宇药业股份有限公司 2023-09-12 CN claimed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US claimed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 US claimed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US claimed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US claimed
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
CN-118754889-A Porphyrin metal complex containing Rind-based Schiff base and synthesis method and application thereof 同济大学 2024-10-11 CN disclosed
CN-118159584-A Curable resin composition and cured product thereof 株式会社大赛璐 2024-06-07 CN disclosed
CN-116410227-B Phosphonic acid derivative of carbazole, quantum dot light emitting device and perovskite solar cell 上海辉纳思光电科技有限公司 2024-05-14 CN disclosed
CN-116410227-B Phosphonic acid derivative of carbazole, quantum dot light emitting device and perovskite solar cell 上海辉纳思光电科技有限公司 2024-05-14 CN disclosed
US-5594088-A PLASTICS WITH SULFIDE GROUPS, NONIONIC SURFACTANTS, SILICONE SURFACTANTS AND QUATERNARY AMMONIUM SALTS AS RELEASE AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-01-14 US disclosed
US-5126388-A Sulfur-containing polyurethane or polythiourethane and internal mold release agent MITSUI TOATSU CHEMICALS, INC. (JP) 1992-06-30 US disclosed
EP-0351073-A2 Lens comprising a resin having a large refractive index and process for preparing the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-17 EP disclosed
EP-0330363-A2 Highly-refractive plastic lens and process for making the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 EP disclosed
EP-0329388-A2 Plastic lenses having high-refractive index and process for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-23 EP disclosed