SCHEMBL9712523

SCHEMBL9712523

CC1=CC=CC([C]=O)C1(C)[N+](=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
SCHEMBL9712393 0.79
SCHEMBL9712428 0.79
SCHEMBL10444149 0.76
SCHEMBL9712411 0.72
SCHEMBL9712407 0.71
SCHEMBL11973541 0.71
SCHEMBL9712348 0.69
SCHEMBL2353911 0.67
SCHEMBL9712370 0.66
SCHEMBL9707328 0.62 ACHE (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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 US disclosed
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 EP disclosed
EP-0086611-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-21 EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4588823-A 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-13 US disclosed
EP-0086612-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-07 EP disclosed
US-4533749-A 9-Substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1985-08-06 US disclosed
US-4525586-A Composition and process THE UPJOHN COMPANY (US) 1985-06-25 US disclosed
US-4487961-A ANTIULCER, ANTIASTHMA, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1984-12-11 US disclosed
US-4032543-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-06-28 US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 US disclosed
US-4028350-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1977-06-07 US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 US disclosed
US-4020173-A 4α,6-Dihydroxy-2β-carboxaldehyde-3α-tetrahydropyranacetic acid γ-lactone, 6-alkyl ethers THE UPJOHN COMPANY (US) 1977-04-26 US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 US disclosed
US-4018804-A PROSTAGLANDINS AND DERIVATIVES THE UPJOHN COMPANY (US) 1977-04-19 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 US disclosed