SCHEMBL9149173

SCHEMBL9149173

O=CN1C=CN=C2NCNCC21

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
SCHEMBL9385585 0.59
SCHEMBL28835013 0.48
SCHEMBL441039 0.47
SCHEMBL2679452 0.43
SCHEMBL20769115 0.41
SCHEMBL1904468 0.38
SCHEMBL5787030 0.38
SCHEMBL279754 0.37
Hydrochloric Acid SCHEMBL23214698 0.36
Formic Acid SCHEMBL31539653 0.36 MAN1B1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0631581-A4 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE. BAILEY STEVENW (US) 1995-08-02 EP disclosed
EP-0631581-A1 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE BAILEY, StevenW. (US) 1995-01-04 EP disclosed
US-5350851-A Intermediates and a process for synthesis of tetrahydropteridine C6-stereoisomers, including (6S)-tetrahydrofolate and N5-formyl-(6S)-tetrahydrofolate SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION (US) 1994-09-27 US disclosed
WO-1993019069-A1 INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE BAILEY STEVEN W (US) 1993-09-30 WO disclosed
US-5198547-A Process for N5-formylating tetrahydropteridines SOUTH ALABAMA MEDICAL SCIENCE FOUNDATION, USA (US) 1993-03-30 US disclosed