SCHEMBL444086

SCHEMBL444086

C=[C]c1ncc[nH]1

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
SCHEMBL31375385 0.78 ALDH1A1 (0.43)
SCHEMBL3167431 0.78 ALDH1A1 (0.43)
SCHEMBL1006770 0.74
SCHEMBL11700071 0.74
SCHEMBL7300417 0.74
SCHEMBL123243 0.74
SCHEMBL678538 0.74
SCHEMBL3168192 0.74 ALDH1A1 (0.40)
SCHEMBL2465050 0.74
SCHEMBL60147 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP claimed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US claimed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP claimed
EP-0069754-A1 METHOD FOR THE PREPARATION OF IMIDAZOLYL-VINYL-ETHERS. SIEGFRIED AG (CH) 1983-01-19 EP claimed
WO-1982002552-A1 METHOD FOR THE PREPARATION OF IMIDAZOLYL-VINYL-ETHERS ZIRNGIBL LUDWIG 1982-08-05 WO claimed
EP-3091053-B1 OPTICAL FLUORESCENT IMAGING USING CYANINE DYES LI COR INC (US) 2020-12-23 EP disclosed
US-10787576-B2 Method for the preparation of a coating comprising oligomeric alkynes ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2020-09-29 US disclosed
EP-3599239-A1 METAL ORGANIC FRAMEWORKS AND METHODS FOR USING THEREOF Ecole Polytechnique Federale De Lausanne (EPFL) EPFL-TTO (CH) 2020-01-29 EP disclosed
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2019-08-01 US disclosed
US-20190048202-A1 METHOD FOR THE PREPARATION OF A COATING COMPRISING OLIGOMERIC ALKYNES ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2019-02-14 US disclosed
US-20180171152-A1 METHOD FOR THE PREPARATION OF A COATING ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2018-06-21 US disclosed
EP-3303482-A1 METHOD FOR THE PREPARATION OF A COATING Ecole Polytechnique Fédérale de Lausanne (EPFL) EPFL-TTO (CH) 2018-04-11 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed
US-5344834-A Functionalized vinyl azoles and methods of use SCHERING AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed