SCHEMBL787694

SCHEMBL787694

CCC(C#N)(CC)O[PH](=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
SCHEMBL787693 0.84
SCHEMBL385678 0.80 TSHR (0.36)
SCHEMBL11149019 0.74
Butane SCHEMBL9770092 0.72
SCHEMBL4709957 0.71
SCHEMBL5992680 0.70
Bicarbonate SCHEMBL10931175 0.68 TSHR (0.33)
SCHEMBL8718780 0.67
SCHEMBL6296953 0.67
SCHEMBL8846747 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20240132470-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-04-25 US disclosed
EP-4302830-A2 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2024-01-10 EP disclosed
US-11866419-B2 Antibacterial compounds Janssen Sciences Ireland Unlimited Company (IE) 2024-01-09 US disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-20220378675-A1 COMPOUNDS REDUCING MALODOUR PERCEPTION AND THE USE THEREOF CHEMCOM S.A. (BE) 2022-12-01 US disclosed
EP-4074378-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-19 EP disclosed
EP-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed
US-4436662-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1984-03-13 US disclosed
US-4431823-A SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4428879-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US disclosed
US-4428878-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1984-01-31 US disclosed
US-4409390-A 3-(2-AMINOETHYL)-4-(2-HYDROXYBENZYL-PHENYL) PYRROLE INTERMEDIATE HOFFMANN-LA ROCHE INC. (US) 1983-10-11 US disclosed
US-4405518-A SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-09-20 US disclosed
US-4379765-A SEDATIVES, ANXIETY HOFFMANN-LA ROCHE INC. (US) 1983-04-12 US disclosed
US-4374128-A TREATING RAPID CELL PROLIFERATION MERRELL TORAUDE ET COMPAGNIE (FR) 1983-02-15 US disclosed
US-4354973-A SEDATIVES AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1982-10-19 US disclosed