SCHEMBL9635659

SCHEMBL9635659

O=C(O)C1(C(=O)C2(C(=O)O)C=CC=CN2)C=CC=CN1

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
SCHEMBL8833247 0.91
SCHEMBL8135056 0.83
SCHEMBL29092388 0.83
Pyrrole SCHEMBL28108586 0.79
SCHEMBL27586206 0.78
SCHEMBL3488485 0.70
SCHEMBL5456313 0.68
SCHEMBL1741742 0.68
SCHEMBL978922 0.68
SCHEMBL596389 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed
US-5149823-A Sulfonamide substituted spirodilactams SHELL OIL COMPANY (US) 1992-09-22 US disclosed
US-5145910-A Ketocarboxylated polymers SHELL OIL COMPANY (US) 1992-09-08 US disclosed
US-5112938-A CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-05-12 US disclosed
US-5103001-A SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-04-07 US disclosed
US-5093495-A Benzoheterocyclic compounds SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093465-A Polyamide containing spirodilactam moieties SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5071996-A Benzheterocyclic compounds SHELL OIL COMPANY (US) 1991-12-10 US disclosed
US-5061780-A Poly(ether-bis-imide-spiro dilactam) polymer SHELL OIL COMPANY (US) 1991-10-29 US disclosed
US-5037948-A Cyano- and carboxy-substituted spirodilactams SHELL OIL COMPANY (US) 1991-08-06 US disclosed
US-5034504-A Spirodilactam polyamide polymer SHELL OIL COMPANY (US) 1991-07-23 US disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4978736-A Polyamideimide polymers SHELL OIL COMPANY (US) 1990-12-18 US disclosed
US-4968812-A Spirolactonelactams SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4968770-A Polyamide from spirodilactam precursor and primary diamine SHELL OIL COMPANY (US) 1990-11-06 US disclosed
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 US disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
US-4908458-A 1,5-Di(benzoheterocyclic)-3-oxopentane derivatives SHELL OIL COMPANY (US) 1990-03-13 US disclosed