SCHEMBL9357459

SCHEMBL9357459

C=C(OC)C(C)(C)C

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
SCHEMBL14767840 0.76
SCHEMBL130679 0.74
SCHEMBL13093698 0.73
SCHEMBL13177427 0.73
SCHEMBL12968370 0.73
SCHEMBL18533573 0.73
SCHEMBL19652056 0.71
SCHEMBL12610916 0.71
SCHEMBL20145374 0.71
SCHEMBL14088953 0.70 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
US-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed
US-20170065726-A1 NOVEL CROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC BIOCONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2017-03-09 US disclosed
US-9511150-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2016-12-06 US disclosed
US-8907079-B2 Crosslinking reagents, macromolecules, therapeutic conjugates, and synthetic methods thereof CELLMOSAIC INC. (US) 2014-12-09 US disclosed
US-20140206903-A1 NOVELCROSSLINKING REAGENTS, MACROMOLECULES, THERAPEUTIC CONJUGATES, AND SYNTHETIC METHODS THEREOF CELLMOSAIC INC (US) 2014-07-24 US disclosed
US-20120329958-A1 POLYMER SYNTHESIS AND THERMALLY REARRANGED POLYMRES AS GAS SEPARATION MEMBRANES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-12-27 US disclosed
EP-0409118-B1 Pyrazolines and their use as antidotes HOECHST SCHERING AGREVO GMBH (DE) 1994-10-12 EP disclosed
EP-0272110-B1 ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-04-07 EP disclosed
US-5103017-A PYRAZOLINES AND THEIR USE AS SAFENERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-5037468-A Prevent phytotoxic damage by herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
US-4990602-A Bactericides TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0409118-A1 Pyrazolines and their use as antidotes Hoechst Schering AgrEvo GmbH (DE) 1991-01-23 EP disclosed
EP-0272110-A2 Erythromycin a derivatives and method for the preparation of the same TAISHO PHARMACEUTICAL CO. LTD (JP) 1988-06-22 EP disclosed